Mrv1652303202018592D          

 17 16  0  0  0  0            999 V2000
   28.6534  -10.2584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.9392   -9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2247  -10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5103   -9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7960  -10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0816   -9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3673  -10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6528   -9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9385  -10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2243   -9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5098  -10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7954   -9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0812  -10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3667   -9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6525  -10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9381   -9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2236  -10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM003819

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCCCCCO

> <INCHI_IDENTIFIER>
InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3

> <INCHI_KEY>
BXWNKGSJHAJOGX-UHFFFAOYSA-N

> <FORMULA>
C16H34O

> <MOLECULAR_WEIGHT>
242.4406

> <EXACT_MASS>
242.26096571

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
34.380659257576646

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexadecan-1-ol

> <ALOGPS_LOGP>
7.17

> <JCHEM_LOGP>
6.140145926

> <ALOGPS_LOGS>
-6.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.84394282199214

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9922594096606376

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
77.34689999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.81e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cetyl alcohol

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D4863

> <NAME>
1-Hexadecanol

> <CAS>
36653-82-4

> <SYNONYMS>
1-Cetanol; 1-Hexadecyl alc; 1-Hexadecyl alcohol; 1-Hexanedecanol; 1-Hydroxyhexadecane; 16-Hexadecanol; Adol; Adol 52; Adol 52 NF; Adol 52NF; Adol 54; Alcohol C-16; Alcohols, C12-18; alcohols, C12-18; Alcohols, C14-18; Aldol 54; Alfol 16; Atalco C; C16 alcohol; Cachalot C-50; Cachalot C-50 NF; Cachalot C-51; Cachalot C-52; Ceraphyl ICA; Cetaffine; Cetal; Cetalol CA; Cetanol; Cetostearyl alcohol; Cetyl alcohol; CETYL ALCOHOL; Cetyl alcohol NF; Cetylic alcohol; Cetylol; Crodacol C; Crodacol C70; Crodacol C95NF; Crodacol-CAS; Crodacol-CAT; Cyclal cetyl alcohol; Dehydag wax 16; Dytol F-11; Elfacos C; Epal 16NF; Ethal; Ethol; Eutanol G16; Exxal 16; Fancol CA; Fatty alcohol; Hexadecan-1-ol; hexadecan-1-ol; Hexadecanol; hexadecanol; Hexadecanol NF; Hexadecyl alcohol; Hyfatol; Hyfatol 16; Isocetyl alcohol; Isohexadecanol; Isohexadecyl alcohol; Lanette 16; Lanol C; Lipocol C; Lorol 24; Lorol C16; LorolL 24; Loxanol K; Loxanol K extra; Loxanwachs SK; Loxiol VPG 1743; Michel XO-150-16; Myristyl alcohol; N-1-Hexadecanol; N-Cetyl alcohol; N-Hexadecan-1-ol; N-Hexadecanol; N-Hexadecyl alcohol; Normal primary hexadecyl alcohol; Palmityl alcohol; Philcohol 1600; Product 308; Rita CA; Siponol CC; Siponol wax-A; SSD; SSD RP

> <TYPES>
Organic Compound; Food Toxin; Metabolite; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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