5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol

C23H40O — CID 142188174

IUPAC5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol
SMILESC/C=C/C1CCC(/C=C/C2CCC(C(C)CCC(C)O)CC2)CC1
InChIInChI=1S/C23H40O/c1-4-5-20-8-10-21(11-9-20)12-13-22-14-16-23(17-15-22)18(2)6-7-19(3)24/h4-5,12-13,18-24H,6-11,14-17H2,1-3H3/b5-4+,13-12+
InChIKeyWRETVJKVGBDOQN-XIIOSWEISA-N
MW332.57 g/mol
LogP6.53
Rot. Bonds7

About 5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol

5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol (PubChem CID 142188174) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is 5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol.

Molecular Properties

Compound Name5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol
PubChem CID142188174
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol
SMILESC/C=C/C1CCC(/C=C/C2CCC(C(C)CCC(C)O)CC2)CC1
InChIInChI=1S/C23H40O/c1-4-5-20-8-10-21(11-9-20)12-13-22-14-16-23(17-15-22)18(2)6-7-19(3)24/h4-5,12-13,18-24H,6-11,14-17H2,1-3H3/b5-4+,13-12+
InChIKeyWRETVJKVGBDOQN-XIIOSWEISA-N
XLogP6.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol with MolForge

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Related Compounds

1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane
CID 67762033
4-[(E)-prop-1-enyl]cyclohexan-1-ol
CID 14498680
1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane
CID 144859039
1-cyclopropylhexane-2,5-diol
CID 90882458
2-[4-[(E)-prop-1-enyl]cyclohexyl]butanal
CID 101297914
4-methylpent-4-en-2-ylcyclopropane
CID 123136187
1-ethyl-4-[(E)-prop-1-enyl]cyclohexane
CID 59981886
(4S)-7-cyclopropyl-2-methyloctan-4-amine
CID 158877402
4-[(E)-prop-1-enyl]cyclohexan-1-amine
CID 54523071
[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol
CID 54475864
ethane;hexane-2,5-diol
CID 143963822

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol?
The IUPAC name of 5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol (CID 142188174) is 5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol.
What is the SMILES notation for 5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol?
The canonical SMILES for 5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol is C/C=C/C1CCC(/C=C/C2CCC(C(C)CCC(C)O)CC2)CC1.
What is the InChIKey of 5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol?
The InChIKey is WRETVJKVGBDOQN-XIIOSWEISA-N. The full InChI is InChI=1S/C23H40O/c1-4-5-20-8-10-21(11-9-20)12-13-22-14-16-23(17-15-22)18(2)6-7-19(3)24/h4-5,12-13,18-24H,6-11,14-17H2,1-3H3/b5-4+,13-12+.
What are the key properties of 5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol?
5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol has a molecular weight of 332.57 g/mol, XLogP of 6.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol is sourced from PubChem (CID 142188174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).