1-cyclopentyl-3-hydroxybutan-2-one

C9H16O2 — CID 103451317

IUPAC1-cyclopentyl-3-hydroxybutan-2-one
SMILESCC(O)C(=O)CC1CCCC1
InChIInChI=1S/C9H16O2/c1-7(10)9(11)6-8-4-2-3-5-8/h7-8,10H,2-6H2,1H3
InChIKeyJYDRLQZOMSJCSX-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.52
Rot. Bonds3

About 1-cyclopentyl-3-hydroxybutan-2-one

1-cyclopentyl-3-hydroxybutan-2-one (PubChem CID 103451317) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-cyclopentyl-3-hydroxybutan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-hydroxybutan-2-one
PubChem CID103451317
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name1-cyclopentyl-3-hydroxybutan-2-one
SMILESCC(O)C(=O)CC1CCCC1
InChIInChI=1S/C9H16O2/c1-7(10)9(11)6-8-4-2-3-5-8/h7-8,10H,2-6H2,1H3
InChIKeyJYDRLQZOMSJCSX-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-cyclohexyl-3-ethylpentan-2-one
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CID 79616644
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CID 174439786
(3R)-3-amino-1-cyclopropylbutan-2-one
CID 96732436
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CID 60654176
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CID 116709029
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-hydroxybutan-2-one?
The IUPAC name of 1-cyclopentyl-3-hydroxybutan-2-one (CID 103451317) is 1-cyclopentyl-3-hydroxybutan-2-one.
What is the SMILES notation for 1-cyclopentyl-3-hydroxybutan-2-one?
The canonical SMILES for 1-cyclopentyl-3-hydroxybutan-2-one is CC(O)C(=O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-hydroxybutan-2-one?
The InChIKey is JYDRLQZOMSJCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(10)9(11)6-8-4-2-3-5-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 1-cyclopentyl-3-hydroxybutan-2-one?
1-cyclopentyl-3-hydroxybutan-2-one has a molecular weight of 156.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-hydroxybutan-2-one is sourced from PubChem (CID 103451317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).