Mrv0541 02241212592D          

 28 27  0  0  0  0            999 V2000
   -5.9812    2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2668    3.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5523    2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8378    3.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1234    2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4089    3.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6944    2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9800    3.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655    2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4490    3.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1635    2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8779    3.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5924    2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3069    3.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0213    2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7358    3.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1648    3.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792    2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5937    3.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3082    2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0226    3.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7371    2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4516    3.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1661    2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8805    3.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6957    3.2705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2668    4.0955    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
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 11 12  1  0  0  0  0
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  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM025560

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCC(C)CO

> <INCHI_IDENTIFIER>
InChI=1S/C27H56O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(2)26-28/h27-28H,3-26H2,1-2H3

> <INCHI_KEY>
HDHVOYLIGDWPEG-UHFFFAOYSA-N

> <FORMULA>
C27H56O

> <MOLECULAR_WEIGHT>
396.7329

> <EXACT_MASS>
396.433116414

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
57.602038343897114

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-methylhexacosan-1-ol

> <ALOGPS_LOGP>
10.18

> <JCHEM_LOGP>
10.950805402333334

> <ALOGPS_LOGS>
-7.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.41832291982244

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7410255548696645

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
127.82849999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
24

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.22e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-methylhexacosan-1-ol

> <JCHEM_VEBER_RULE>
0

> <NAME>
Anteisoheptacosan-1-ol

$$$$