(5Z)-1-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-(5-hydroxy-3,3-dimethylpentylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol

C24H40O3 — CID 67909359

IUPAC(5Z)-1-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-(5-hydroxy-3,3-dimethylpentylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol
SMILESCC(C)(C/C=C1/CC2CC(O)C(/C=C/C(O)C3CCCCC3)C2C1)CCO
InChIInChI=1S/C24H40O3/c1-24(2,12-13-25)11-10-17-14-19-16-23(27)20(21(19)15-17)8-9-22(26)18-6-4-3-5-7-18/h8-10,18-23,25-27H,3-7,11-16H2,1-2H3/b9-8+,17-10-
InChIKeyRSDSTTBUGIKPNY-OAXSMGAZSA-N
MW376.58 g/mol
LogP4.62
Rot. Bonds7

About (5Z)-1-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-(5-hydroxy-3,3-dimethylpentylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol

(5Z)-1-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-(5-hydroxy-3,3-dimethylpentylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol (PubChem CID 67909359) has the molecular formula C24H40O3 and a molecular weight of 376.58 g/mol. Its IUPAC name is (5Z)-1-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-(5-hydroxy-3,3-dimethylpentylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol.

Molecular Properties

Compound Name(5Z)-1-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-(5-hydroxy-3,3-dimethylpentylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol
PubChem CID67909359
Molecular FormulaC24H40O3
Molecular Weight376.58 g/mol
Exact Mass376.30
IUPAC Name(5Z)-1-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-(5-hydroxy-3,3-dimethylpentylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol
SMILESCC(C)(C/C=C1/CC2CC(O)C(/C=C/C(O)C3CCCCC3)C2C1)CCO
InChIInChI=1S/C24H40O3/c1-24(2,12-13-25)11-10-17-14-19-16-23(27)20(21(19)15-17)8-9-22(26)18-6-4-3-5-7-18/h8-10,18-23,25-27H,3-7,11-16H2,1-2H3/b9-8+,17-10-
InChIKeyRSDSTTBUGIKPNY-OAXSMGAZSA-N
XLogP4.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.58
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5Z)-1-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-(5-hydroxy-3,3-dimethylpentylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-1-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-(5-hydroxy-3,3-dimethylpentylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol?
The IUPAC name of (5Z)-1-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-(5-hydroxy-3,3-dimethylpentylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol (CID 67909359) is (5Z)-1-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-(5-hydroxy-3,3-dimethylpentylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol.
What is the SMILES notation for (5Z)-1-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-(5-hydroxy-3,3-dimethylpentylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol?
The canonical SMILES for (5Z)-1-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-(5-hydroxy-3,3-dimethylpentylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol is CC(C)(C/C=C1/CC2CC(O)C(/C=C/C(O)C3CCCCC3)C2C1)CCO.
What is the InChIKey of (5Z)-1-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-(5-hydroxy-3,3-dimethylpentylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol?
The InChIKey is RSDSTTBUGIKPNY-OAXSMGAZSA-N. The full InChI is InChI=1S/C24H40O3/c1-24(2,12-13-25)11-10-17-14-19-16-23(27)20(21(19)15-17)8-9-22(26)18-6-4-3-5-7-18/h8-10,18-23,25-27H,3-7,11-16H2,1-2H3/b9-8+,17-10-.
What are the key properties of (5Z)-1-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-(5-hydroxy-3,3-dimethylpentylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol?
(5Z)-1-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-(5-hydroxy-3,3-dimethylpentylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol has a molecular weight of 376.58 g/mol, XLogP of 4.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-(5-hydroxy-3,3-dimethylpentylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol is sourced from PubChem (CID 67909359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).