(3S)-3-propan-2-ylcyclopentan-1-one

C8H14O — CID 10855459

IUPAC(3S)-3-propan-2-ylcyclopentan-1-one
SMILESCC(C)[C@H]1CCC(=O)C1
InChIInChI=1S/C8H14O/c1-6(2)7-3-4-8(9)5-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyPYAUPTMCTBUIGA-ZETCQYMHSA-N
MW126.20 g/mol
LogP2.01
Rot. Bonds1

About (3S)-3-propan-2-ylcyclopentan-1-one

(3S)-3-propan-2-ylcyclopentan-1-one (PubChem CID 10855459) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (3S)-3-propan-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-propan-2-ylcyclopentan-1-one
PubChem CID10855459
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(3S)-3-propan-2-ylcyclopentan-1-one
SMILESCC(C)[C@H]1CCC(=O)C1
InChIInChI=1S/C8H14O/c1-6(2)7-3-4-8(9)5-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyPYAUPTMCTBUIGA-ZETCQYMHSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-hydroxyethyl)cyclopentan-1-one
CID 76687141
(3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one
CID 58072083
2-(3-oxocyclopentyl)propanenitrile
CID 13075149
formic acid;3-(1-hydroxyethyl)cyclopentan-1-one
CID 174506059
cis-(3S,4R)-3,4-di(propan-2-yl)cyclohexan-1-one
CID 121421968
4-propan-2-ylcyclohexan-1-one;4-propan-2-yloxycyclohexan-1-one
CID 70182702
4-(2,4-dimethylpentan-3-yl)cyclohexan-1-one
CID 58749642
1-methylidene-4-propan-2-ylcyclohexane;2-propan-2-ylcyclobutan-1-one;3-propan-2-ylcyclobutan-1-one;2-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-one
CID 159856846
4-propan-2-yl-3-propan-2-yloxycyclohexan-1-one
CID 165497021
1,2,4-tri(propan-2-yl)cyclohexene
CID 177269639
methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate
CID 11629667
3-(1-methylsulfanylprop-2-enyl)cyclopentan-1-one
CID 12715926

Frequently Asked Questions

What is the IUPAC name of (3S)-3-propan-2-ylcyclopentan-1-one?
The IUPAC name of (3S)-3-propan-2-ylcyclopentan-1-one (CID 10855459) is (3S)-3-propan-2-ylcyclopentan-1-one.
What is the SMILES notation for (3S)-3-propan-2-ylcyclopentan-1-one?
The canonical SMILES for (3S)-3-propan-2-ylcyclopentan-1-one is CC(C)[C@H]1CCC(=O)C1.
What is the InChIKey of (3S)-3-propan-2-ylcyclopentan-1-one?
The InChIKey is PYAUPTMCTBUIGA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14O/c1-6(2)7-3-4-8(9)5-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-3-propan-2-ylcyclopentan-1-one?
(3S)-3-propan-2-ylcyclopentan-1-one has a molecular weight of 126.20 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propan-2-ylcyclopentan-1-one is sourced from PubChem (CID 10855459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).