ethane;(5Z)-5-[(E)-hex-2-enylidene]-2-methylidenecyclohexan-1-ol

C17H32O — CID 143838806

IUPACethane;(5Z)-5-[(E)-hex-2-enylidene]-2-methylidenecyclohexan-1-ol
SMILESC=C1CC/C(=C/C=C/CCC)CC1O.CC.CC
InChIInChI=1S/C13H20O.2C2H6/c1-3-4-5-6-7-12-9-8-11(2)13(14)10-12;2*1-2/h5-7,13-14H,2-4,8-10H2,1H3;2*1-2H3/b6-5+,12-7-;;
InChIKeyMYEZMMUAFZRZKU-JSDCJNFRSA-N
MW252.44 g/mol
LogP5.42
Rot. Bonds3

About ethane;(5Z)-5-[(E)-hex-2-enylidene]-2-methylidenecyclohexan-1-ol

ethane;(5Z)-5-[(E)-hex-2-enylidene]-2-methylidenecyclohexan-1-ol (PubChem CID 143838806) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is ethane;(5Z)-5-[(E)-hex-2-enylidene]-2-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Nameethane;(5Z)-5-[(E)-hex-2-enylidene]-2-methylidenecyclohexan-1-ol
PubChem CID143838806
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Nameethane;(5Z)-5-[(E)-hex-2-enylidene]-2-methylidenecyclohexan-1-ol
SMILESC=C1CC/C(=C/C=C/CCC)CC1O.CC.CC
InChIInChI=1S/C13H20O.2C2H6/c1-3-4-5-6-7-12-9-8-11(2)13(14)10-12;2*1-2/h5-7,13-14H,2-4,8-10H2,1H3;2*1-2H3/b6-5+,12-7-;;
InChIKeyMYEZMMUAFZRZKU-JSDCJNFRSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(5Z)-5-[(E)-hex-2-enylidene]-2-methylidenecyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-5-[(E)-hex-2-enylidene]-2-methylidenecyclohexan-1-ol?
The IUPAC name of ethane;(5Z)-5-[(E)-hex-2-enylidene]-2-methylidenecyclohexan-1-ol (CID 143838806) is ethane;(5Z)-5-[(E)-hex-2-enylidene]-2-methylidenecyclohexan-1-ol.
What is the SMILES notation for ethane;(5Z)-5-[(E)-hex-2-enylidene]-2-methylidenecyclohexan-1-ol?
The canonical SMILES for ethane;(5Z)-5-[(E)-hex-2-enylidene]-2-methylidenecyclohexan-1-ol is C=C1CC/C(=C/C=C/CCC)CC1O.CC.CC.
What is the InChIKey of ethane;(5Z)-5-[(E)-hex-2-enylidene]-2-methylidenecyclohexan-1-ol?
The InChIKey is MYEZMMUAFZRZKU-JSDCJNFRSA-N. The full InChI is InChI=1S/C13H20O.2C2H6/c1-3-4-5-6-7-12-9-8-11(2)13(14)10-12;2*1-2/h5-7,13-14H,2-4,8-10H2,1H3;2*1-2H3/b6-5+,12-7-;;.
What are the key properties of ethane;(5Z)-5-[(E)-hex-2-enylidene]-2-methylidenecyclohexan-1-ol?
ethane;(5Z)-5-[(E)-hex-2-enylidene]-2-methylidenecyclohexan-1-ol has a molecular weight of 252.44 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-5-[(E)-hex-2-enylidene]-2-methylidenecyclohexan-1-ol is sourced from PubChem (CID 143838806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).