1-cyclohexyl-4-methylpent-4-en-2-ol

C12H22O — CID 115816975

IUPAC1-cyclohexyl-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(O)CC1CCCCC1
InChIInChI=1S/C12H22O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h11-13H,1,3-9H2,2H3
InChIKeyZQERAEHYDMMXKS-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.28
Rot. Bonds4

About 1-cyclohexyl-4-methylpent-4-en-2-ol

1-cyclohexyl-4-methylpent-4-en-2-ol (PubChem CID 115816975) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-cyclohexyl-4-methylpent-4-en-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-4-methylpent-4-en-2-ol
PubChem CID115816975
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-cyclohexyl-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(O)CC1CCCCC1
InChIInChI=1S/C12H22O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h11-13H,1,3-9H2,2H3
InChIKeyZQERAEHYDMMXKS-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-cycloheptyl-5-methylhexan-2-ol
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CID 103169029
1-cyclohexyl-6-methylhept-6-en-3-ol
CID 115834468
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CID 173250018
1-cyclopropyl-3-methylbut-3-en-1-ol
CID 79179792
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CID 103158328
1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol
CID 79177597
3-cyclohexyl-2-methylpropane-1,1-diol
CID 20647941
1-cycloheptyloctan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methylpent-4-en-2-ol?
The IUPAC name of 1-cyclohexyl-4-methylpent-4-en-2-ol (CID 115816975) is 1-cyclohexyl-4-methylpent-4-en-2-ol.
What is the SMILES notation for 1-cyclohexyl-4-methylpent-4-en-2-ol?
The canonical SMILES for 1-cyclohexyl-4-methylpent-4-en-2-ol is C=C(C)CC(O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-methylpent-4-en-2-ol?
The InChIKey is ZQERAEHYDMMXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h11-13H,1,3-9H2,2H3.
What are the key properties of 1-cyclohexyl-4-methylpent-4-en-2-ol?
1-cyclohexyl-4-methylpent-4-en-2-ol has a molecular weight of 182.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methylpent-4-en-2-ol is sourced from PubChem (CID 115816975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).