3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one

C8H14O2 — CID 10997135

IUPAC3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)C(=O)CCC1CO
InChIInChI=1S/C8H14O2/c1-8(2)6(5-9)3-4-7(8)10/h6,9H,3-5H2,1-2H3
InChIKeyOJBIHPPOOFJQOO-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.98
Rot. Bonds1

About 3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one

3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one (PubChem CID 10997135) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one
PubChem CID10997135
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)C(=O)CCC1CO
InChIInChI=1S/C8H14O2/c1-8(2)6(5-9)3-4-7(8)10/h6,9H,3-5H2,1-2H3
InChIKeyOJBIHPPOOFJQOO-UHFFFAOYSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-2,2-dimethylcyclopentan-1-one
CID 89158762
2-[(1S)-2,2-dimethyl-3-oxocyclopentyl]acetonitrile
CID 11030006
(3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one
CID 70539958
methyl (1R)-2,2-dimethyl-3-oxocyclopentane-1-carboxylate
CID 14805634
3-hydroxy-2,2-dimethylcyclooctan-1-one
CID 86182604
(3aR,7aR)-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-inden-5-one
CID 130815756
3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234
2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one
CID 102201716
2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one
CID 157414716
[(1S)-2,2-dimethylcyclobutyl]methanol
CID 129404662
[2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methanol
CID 10612258
(3R)-3-ethyl-6-(hydroxymethylidene)-2,2-dimethylcyclohexan-1-one
CID 67334199

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one (CID 10997135) is 3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one is CC1(C)C(=O)CCC1CO.
What is the InChIKey of 3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one?
The InChIKey is OJBIHPPOOFJQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(2)6(5-9)3-4-7(8)10/h6,9H,3-5H2,1-2H3.
What are the key properties of 3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one?
3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one has a molecular weight of 142.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 10997135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).