1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol

C13H24O2 — CID 103452562

IUPAC1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C(O)C2CCCC2)CC1
InChIInChI=1S/C13H24O2/c1-10-6-8-13(15,9-7-10)12(14)11-4-2-3-5-11/h10-12,14-15H,2-9H2,1H3
InChIKeySVACNEFPKAQRDZ-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.48
Rot. Bonds2

About 1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol

1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol (PubChem CID 103452562) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol
PubChem CID103452562
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C(O)C2CCCC2)CC1
InChIInChI=1S/C13H24O2/c1-10-6-8-13(15,9-7-10)12(14)11-4-2-3-5-11/h10-12,14-15H,2-9H2,1H3
InChIKeySVACNEFPKAQRDZ-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol
CID 103451987
(1-ethylcyclopentyl)-(4-methylcyclohexyl)methanol
CID 115805271
1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448421
1-[hydroxy(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452227
cyclohexyl-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79074385
1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol
CID 103452199
1-[hydroxy(oxan-3-yl)methyl]cyclopentan-1-ol
CID 107136247
1-(1-hydroxypentyl)-4-methylcyclohexan-1-ol
CID 103452288
(S)-cyclohexyl-(1-trimethylsilylcyclopropyl)methanol
CID 99771566
2-(1-hydroxy-4-methylcycloheptyl)propanoic acid
CID 65085394
(1-ethylcyclopentyl)-(3-methylcyclohexyl)methanol
CID 115808264
1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 103452282

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol (CID 103452562) is 1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(C(O)C2CCCC2)CC1.
What is the InChIKey of 1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is SVACNEFPKAQRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-10-6-8-13(15,9-7-10)12(14)11-4-2-3-5-11/h10-12,14-15H,2-9H2,1H3.
What are the key properties of 1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol?
1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 212.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 103452562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).