Mrv0541 02241215342D          

 26 25  0  0  0  0            999 V2000
   -7.1486    0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4338    0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7189    0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0040    0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2891    0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5743    0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8594    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
   -1.4296    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
    0.0000    0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7147    0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4296    0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445    0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8594    0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5743    0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2891    0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0039    0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7189    0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4337    0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1486    0.6191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4338   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5743   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7148   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0039   -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
  2 22  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 23  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
 10 24  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  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM029092

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC\C(C)=C\CO

> <INCHI_IDENTIFIER>
InChI=1S/C25H48O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h17,19,21-23,26H,7-16,18,20H2,1-6H3/b24-17+,25-19+

> <INCHI_KEY>
QVAALZYWZYXTTP-OCQYTUGVSA-N

> <FORMULA>
C25H48O

> <MOLECULAR_WEIGHT>
364.648

> <EXACT_MASS>
364.370516158

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
49.974824504089

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E,6E)-3,7,11,15,19-pentamethylicosa-2,6-dien-1-ol

> <ALOGPS_LOGP>
8.88

> <JCHEM_LOGP>
8.698264565

> <ALOGPS_LOGS>
-6.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.33002421872553

> <JCHEM_PKA_STRONGEST_BASIC>
-2.2170474067294528

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
120.03989999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.36e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E,6E)-3,7,11,15,19-pentamethylicosa-2,6-dien-1-ol

> <JCHEM_VEBER_RULE>
0

> <NAME>
(2Z,6E)-3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-ol

> <CAS>
26549-03-1

$$$$