Mrv0541 02241221412D          

 16 15  0  0  0  0            999 V2000
    9.5170   -7.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2314   -6.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9459   -7.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6604   -6.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3748   -7.1893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3748   -8.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0893   -8.4268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6604   -8.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8038   -8.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5183   -8.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2327   -8.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9472   -8.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9472   -9.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6617   -9.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5170   -8.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8025   -8.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004573

> <DATABASE_NAME>
chemdb

> <SMILES>
CC\C=C/CCOC(C)OCC\C=C/CC

> <INCHI_IDENTIFIER>
InChI=1S/C14H26O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h6-9,14H,4-5,10-13H2,1-3H3/b8-6-,9-7-

> <INCHI_KEY>
KCPFRJBAXWUXIG-VRHVFUOLSA-N

> <FORMULA>
C14H26O2

> <MOLECULAR_WEIGHT>
226.355

> <EXACT_MASS>
226.193280076

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
28.289855776982222

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3Z)-1-{1-[(3Z)-hex-3-en-1-yloxy]ethoxy}hex-3-ene

> <ALOGPS_LOGP>
4.74

> <JCHEM_LOGP>
4.119437128666665

> <ALOGPS_LOGS>
-4.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.016055611305493

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
72.0922

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.96e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3Z)-1-{1-[(3Z)-hex-3-en-1-yloxy]ethoxy}hex-3-ene

> <JCHEM_VEBER_RULE>
1

> <NAME>
ACETALDEHYDE DI-CIS-3-HEXENYL ACETAL

> <CAS>
63449-64-9

$$$$