(3E)-3-(2-cyclohexylideneethylidene)-4-methylidenecyclohexan-1-ol

C15H22O — CID 171377836

IUPAC(3E)-3-(2-cyclohexylideneethylidene)-4-methylidenecyclohexan-1-ol
SMILESC=C1CCC(O)C/C1=C\C=C1CCCCC1
InChIInChI=1S/C15H22O/c1-12-7-10-15(16)11-14(12)9-8-13-5-3-2-4-6-13/h8-9,15-16H,1-7,10-11H2/b14-9+
InChIKeyCSTPOUSWHOWTOR-NTEUORMPSA-N
MW218.34 g/mol
LogP3.90
Rot. Bonds1

About (3E)-3-(2-cyclohexylideneethylidene)-4-methylidenecyclohexan-1-ol

(3E)-3-(2-cyclohexylideneethylidene)-4-methylidenecyclohexan-1-ol (PubChem CID 171377836) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (3E)-3-(2-cyclohexylideneethylidene)-4-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name(3E)-3-(2-cyclohexylideneethylidene)-4-methylidenecyclohexan-1-ol
PubChem CID171377836
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(3E)-3-(2-cyclohexylideneethylidene)-4-methylidenecyclohexan-1-ol
SMILESC=C1CCC(O)C/C1=C\C=C1CCCCC1
InChIInChI=1S/C15H22O/c1-12-7-10-15(16)11-14(12)9-8-13-5-3-2-4-6-13/h8-9,15-16H,1-7,10-11H2/b14-9+
InChIKeyCSTPOUSWHOWTOR-NTEUORMPSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3Z)-4-methylidene-3-prop-2-enylidenecyclohexan-1-ol
CID 59883732
(1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol
CID 131966555
(1R,3Z)-4-methylidene-3-propylidenecyclohexan-1-ol
CID 88974948
(1S,3Z)-3-[(2E)-2-[(2R,3R)-2-butyl-3-methylcyclohexylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 88972295
(1S,3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-4-methylidenecyclohexan-1-ol
CID 142026083
1-[(1S,3aS,4E,7aS)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanone
CID 87646473
1-[(1S,3aR,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanone
CID 6439731
1-[(1R,3aS,4E,7aS)-1-hydroxy-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydroinden-1-yl]ethanone
CID 87308885
CID 59142169
CID 59142169
(1S,3Z)-3-[(2E)-2-[(3aS)-7a-[(E,5R)-5,6-dimethylhept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 155148014
1-[(1S,3aS,4E,7aS)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-hydroxyethanone
CID 87827674
(3S,3aS,5S,7aS)-3-[(1S)-1-hydroxyethyl]-7-[2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-3a-methyl-2,3,4,5,6,7a-hexahydro-1H-inden-5-ol
CID 123295497

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2-cyclohexylideneethylidene)-4-methylidenecyclohexan-1-ol?
The IUPAC name of (3E)-3-(2-cyclohexylideneethylidene)-4-methylidenecyclohexan-1-ol (CID 171377836) is (3E)-3-(2-cyclohexylideneethylidene)-4-methylidenecyclohexan-1-ol.
What is the SMILES notation for (3E)-3-(2-cyclohexylideneethylidene)-4-methylidenecyclohexan-1-ol?
The canonical SMILES for (3E)-3-(2-cyclohexylideneethylidene)-4-methylidenecyclohexan-1-ol is C=C1CCC(O)C/C1=C\C=C1CCCCC1.
What is the InChIKey of (3E)-3-(2-cyclohexylideneethylidene)-4-methylidenecyclohexan-1-ol?
The InChIKey is CSTPOUSWHOWTOR-NTEUORMPSA-N. The full InChI is InChI=1S/C15H22O/c1-12-7-10-15(16)11-14(12)9-8-13-5-3-2-4-6-13/h8-9,15-16H,1-7,10-11H2/b14-9+.
What are the key properties of (3E)-3-(2-cyclohexylideneethylidene)-4-methylidenecyclohexan-1-ol?
(3E)-3-(2-cyclohexylideneethylidene)-4-methylidenecyclohexan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2-cyclohexylideneethylidene)-4-methylidenecyclohexan-1-ol is sourced from PubChem (CID 171377836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).