1-(cyclohexen-1-yl)-3-methylhexan-2-ol

C13H24O — CID 107893039

IUPAC1-(cyclohexen-1-yl)-3-methylhexan-2-ol
SMILESCCCC(C)C(O)CC1=CCCCC1
InChIInChI=1S/C13H24O/c1-3-7-11(2)13(14)10-12-8-5-4-6-9-12/h8,11,13-14H,3-7,9-10H2,1-2H3
InChIKeyJPQMRSPUQTWLHY-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.67
Rot. Bonds5

About 1-(cyclohexen-1-yl)-3-methylhexan-2-ol

1-(cyclohexen-1-yl)-3-methylhexan-2-ol (PubChem CID 107893039) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-methylhexan-2-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-methylhexan-2-ol
PubChem CID107893039
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-(cyclohexen-1-yl)-3-methylhexan-2-ol
SMILESCCCC(C)C(O)CC1=CCCCC1
InChIInChI=1S/C13H24O/c1-3-7-11(2)13(14)10-12-8-5-4-6-9-12/h8,11,13-14H,3-7,9-10H2,1-2H3
InChIKeyJPQMRSPUQTWLHY-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.67
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-(cyclohexen-1-yl)-4-ethyloctan-2-ol
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3-(cyclohexen-1-yl)-2-methylpropanoic acid
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1-(cyclohexen-1-yl)-4-methylheptan-2-one
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1-(cyclohexen-1-yl)dodecan-2-amine
CID 116661293
2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol
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1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol
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(2R)-1,1,1-trichloro-3-(cyclohexen-1-yl)propan-2-ol
CID 13238455

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-methylhexan-2-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-3-methylhexan-2-ol (CID 107893039) is 1-(cyclohexen-1-yl)-3-methylhexan-2-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-methylhexan-2-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-methylhexan-2-ol is CCCC(C)C(O)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-methylhexan-2-ol?
The InChIKey is JPQMRSPUQTWLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-3-7-11(2)13(14)10-12-8-5-4-6-9-12/h8,11,13-14H,3-7,9-10H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-methylhexan-2-ol?
1-(cyclohexen-1-yl)-3-methylhexan-2-ol has a molecular weight of 196.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-methylhexan-2-ol is sourced from PubChem (CID 107893039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).