1-(3-hydroxy-2-methylpentyl)cyclohexan-1-ol

C12H24O2 — CID 79436006

IUPAC1-(3-hydroxy-2-methylpentyl)cyclohexan-1-ol
SMILESCCC(O)C(C)CC1(O)CCCCC1
InChIInChI=1S/C12H24O2/c1-3-11(13)10(2)9-12(14)7-5-4-6-8-12/h10-11,13-14H,3-9H2,1-2H3
InChIKeySDOVRYATKVIZRK-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.48
Rot. Bonds4

About 1-(3-hydroxy-2-methylpentyl)cyclohexan-1-ol

1-(3-hydroxy-2-methylpentyl)cyclohexan-1-ol (PubChem CID 79436006) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylpentyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylpentyl)cyclohexan-1-ol
PubChem CID79436006
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-(3-hydroxy-2-methylpentyl)cyclohexan-1-ol
SMILESCCC(O)C(C)CC1(O)CCCCC1
InChIInChI=1S/C12H24O2/c1-3-11(13)10(2)9-12(14)7-5-4-6-8-12/h10-11,13-14H,3-9H2,1-2H3
InChIKeySDOVRYATKVIZRK-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylhexyl)cycloheptan-1-ol
CID 63406622
1-(2-ethylhexyl)cyclohexan-1-ol
CID 63409044
1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015
5-methylheptane-3,4-diol
CID 21486220
1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol
CID 64568933
1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 65208031
1-[2-(propan-2-ylamino)ethyl]cyclohexan-1-ol
CID 15889475
(4R)-4-methylheptan-3-ol
CID 12799251
1-(1-hydroxy-2-methylbutyl)cycloheptane-1-carbonitrile
CID 79131876
1-(1-hydroxy-2-methylbutyl)cyclohexane-1-carbonitrile
CID 79131643
1-(2-phenylpropyl)cyclopentan-1-ol
CID 173409519
1-(3-sulfanylbutyl)cyclopentan-1-ol
CID 138752508

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methylpentyl)cyclohexan-1-ol?
The IUPAC name of 1-(3-hydroxy-2-methylpentyl)cyclohexan-1-ol (CID 79436006) is 1-(3-hydroxy-2-methylpentyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-hydroxy-2-methylpentyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-hydroxy-2-methylpentyl)cyclohexan-1-ol is CCC(O)C(C)CC1(O)CCCCC1.
What is the InChIKey of 1-(3-hydroxy-2-methylpentyl)cyclohexan-1-ol?
The InChIKey is SDOVRYATKVIZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-11(13)10(2)9-12(14)7-5-4-6-8-12/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of 1-(3-hydroxy-2-methylpentyl)cyclohexan-1-ol?
1-(3-hydroxy-2-methylpentyl)cyclohexan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylpentyl)cyclohexan-1-ol is sourced from PubChem (CID 79436006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).