(1S)-4-hexan-2-yl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol

C13H26O2 — CID 143523992

IUPAC(1S)-4-hexan-2-yl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol
SMILESCCCCC(C)C1CC(CO)[C@@](C)(O)C1
InChIInChI=1S/C13H26O2/c1-4-5-6-10(2)11-7-12(9-14)13(3,15)8-11/h10-12,14-15H,4-9H2,1-3H3/t10?,11?,12?,13-/m0/s1
InChIKeyQZUHCQKYKVODGH-SKQCGHHBSA-N
MW214.35 g/mol
LogP2.58
Rot. Bonds5

About (1S)-4-hexan-2-yl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol

(1S)-4-hexan-2-yl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol (PubChem CID 143523992) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (1S)-4-hexan-2-yl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S)-4-hexan-2-yl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol
PubChem CID143523992
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(1S)-4-hexan-2-yl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol
SMILESCCCCC(C)C1CC(CO)[C@@](C)(O)C1
InChIInChI=1S/C13H26O2/c1-4-5-6-10(2)11-7-12(9-14)13(3,15)8-11/h10-12,14-15H,4-9H2,1-3H3/t10?,11?,12?,13-/m0/s1
InChIKeyQZUHCQKYKVODGH-SKQCGHHBSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
CID 58944578
1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
cis-(4S,6R)-1,6-dimethyl-4-[(2R)-pentan-2-yl]cyclohexane-1,2-diol
CID 129073832
1-hexan-2-yl-2-propan-2-ylcyclopropane
CID 123497501
octan-2-ylcyclopropane
CID 18968125
trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol
CID 131230361
4-heptan-2-ylpiperidine
CID 143122379
1-heptan-2-yl-3-propylcyclobutane
CID 123811965
(1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol
CID 10261332
(1R,2R,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol
CID 131849352
(2,2-dimethyl-3-propan-2-ylcyclobutyl)methanol
CID 175095277
1,1,5-trimethyl-3-pentan-2-ylcycloheptane
CID 90776790

Frequently Asked Questions

What is the IUPAC name of (1S)-4-hexan-2-yl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol?
The IUPAC name of (1S)-4-hexan-2-yl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol (CID 143523992) is (1S)-4-hexan-2-yl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol.
What is the SMILES notation for (1S)-4-hexan-2-yl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol?
The canonical SMILES for (1S)-4-hexan-2-yl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol is CCCCC(C)C1CC(CO)[C@@](C)(O)C1.
What is the InChIKey of (1S)-4-hexan-2-yl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol?
The InChIKey is QZUHCQKYKVODGH-SKQCGHHBSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-5-6-10(2)11-7-12(9-14)13(3,15)8-11/h10-12,14-15H,4-9H2,1-3H3/t10?,11?,12?,13-/m0/s1.
What are the key properties of (1S)-4-hexan-2-yl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol?
(1S)-4-hexan-2-yl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-hexan-2-yl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol is sourced from PubChem (CID 143523992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).