Mrv0541 02241214282D          

 18 17  0  0  0  0            999 V2000
   -5.7191   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0042   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2894   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5744   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8595   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1446   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4298   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7149   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7148   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4297   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1446   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5745   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2893   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7191   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1446    0.6191    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
  6 18  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>
CHEM034238

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCC(C)CCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C18H38/c1-4-6-8-9-10-11-12-13-15-17-18(3)16-14-7-5-2/h18H,4-17H2,1-3H3

> <INCHI_KEY>
RLXHXVUABXKBOE-UHFFFAOYSA-N

> <FORMULA>
C18H38

> <MOLECULAR_WEIGHT>
254.4943

> <EXACT_MASS>
254.297351216

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
37.070936887812415

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-methylheptadecane

> <ALOGPS_LOGP>
9.23

> <JCHEM_LOGP>
8.308412304

> <ALOGPS_LOGS>
-7.44

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
84.56779999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.33e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-methylheptadecane

> <JCHEM_VEBER_RULE>
0

> <NAME>
6-Methylheptadecane

> <CAS>
26741-13-9

$$$$