1-cyclopentyl-4-methylhexan-3-ol

C12H24O — CID 115823411

IUPAC1-cyclopentyl-4-methylhexan-3-ol
SMILESCCC(C)C(O)CCC1CCCC1
InChIInChI=1S/C12H24O/c1-3-10(2)12(13)9-8-11-6-4-5-7-11/h10-13H,3-9H2,1-2H3
InChIKeyUUNGLEAIEVLSJA-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.36
Rot. Bonds5

About 1-cyclopentyl-4-methylhexan-3-ol

1-cyclopentyl-4-methylhexan-3-ol (PubChem CID 115823411) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-cyclopentyl-4-methylhexan-3-ol.

Molecular Properties

Compound Name1-cyclopentyl-4-methylhexan-3-ol
PubChem CID115823411
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-cyclopentyl-4-methylhexan-3-ol
SMILESCCC(C)C(O)CCC1CCCC1
InChIInChI=1S/C12H24O/c1-3-10(2)12(13)9-8-11-6-4-5-7-11/h10-13H,3-9H2,1-2H3
InChIKeyUUNGLEAIEVLSJA-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-3-methylpentan-2-ol
CID 65459256
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
7-cyclohexyl-2-methylheptane-1,4,5-triol
CID 70398525
1-cyclopropylheptane-3,4-diol
CID 103455036
1,5-dicyclohexylpentan-3-ol
CID 56981010
1-cyclopropyl-4,5-dimethylhexan-3-ol
CID 115810725
4-cyclohexyl-1-ethoxybutan-2-ol
CID 115818721
(2R,3R,4R)-6-cyclohexylhexane-1,2,3,4-tetrol
CID 54540635
ethyl (2S)-4-cyclohexyl-2-methylbutanoate
CID 59355198
4-(2-cyclohexylethoxy)hexan-3-ol
CID 143882427
3-ethylhexylcyclopentane
CID 123372890
(3-ethyl-4,5-dimethylheptyl)cyclopropane
CID 123809704

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methylhexan-3-ol?
The IUPAC name of 1-cyclopentyl-4-methylhexan-3-ol (CID 115823411) is 1-cyclopentyl-4-methylhexan-3-ol.
What is the SMILES notation for 1-cyclopentyl-4-methylhexan-3-ol?
The canonical SMILES for 1-cyclopentyl-4-methylhexan-3-ol is CCC(C)C(O)CCC1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-methylhexan-3-ol?
The InChIKey is UUNGLEAIEVLSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-10(2)12(13)9-8-11-6-4-5-7-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-cyclopentyl-4-methylhexan-3-ol?
1-cyclopentyl-4-methylhexan-3-ol has a molecular weight of 184.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methylhexan-3-ol is sourced from PubChem (CID 115823411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).