4-cyclobutyl-1-hydroxypentan-2-one

C9H16O2 — CID 123792654

IUPAC4-cyclobutyl-1-hydroxypentan-2-one
SMILESCC(CC(=O)CO)C1CCC1
InChIInChI=1S/C9H16O2/c1-7(5-9(11)6-10)8-3-2-4-8/h7-8,10H,2-6H2,1H3
InChIKeyFDRKHCNAKLQJJH-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.37
Rot. Bonds4

About 4-cyclobutyl-1-hydroxypentan-2-one

4-cyclobutyl-1-hydroxypentan-2-one (PubChem CID 123792654) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-cyclobutyl-1-hydroxypentan-2-one.

Molecular Properties

Compound Name4-cyclobutyl-1-hydroxypentan-2-one
PubChem CID123792654
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-cyclobutyl-1-hydroxypentan-2-one
SMILESCC(CC(=O)CO)C1CCC1
InChIInChI=1S/C9H16O2/c1-7(5-9(11)6-10)8-3-2-4-8/h7-8,10H,2-6H2,1H3
InChIKeyFDRKHCNAKLQJJH-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3S)-3-cyclobutylbutanoic acid
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6-cyclohexyl-2-methylheptane-3,4-dione
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ethyl 3-cyclopropylbutanoate
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cyclohexyl 3-cyclohexylbutanoate
CID 129263985
(2R)-2-cyclohexylpropan-1-ol
CID 10176192
1-cyclohexyl-4-piperidin-3-ylpentan-2-one
CID 116594382
1-cyclohexylethanone;1,3-dicyclohexylbutan-1-one
CID 163526339
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CID 119726928
(3S,6S)-3-amino-6-cyclohexylheptanoic acid
CID 68869022
bis(methyl 3-cyclopentylbutanoate);bis(methyl 3-cyclopentyl-3-hydroxypropanoate)
CID 162293846

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1-hydroxypentan-2-one?
The IUPAC name of 4-cyclobutyl-1-hydroxypentan-2-one (CID 123792654) is 4-cyclobutyl-1-hydroxypentan-2-one.
What is the SMILES notation for 4-cyclobutyl-1-hydroxypentan-2-one?
The canonical SMILES for 4-cyclobutyl-1-hydroxypentan-2-one is CC(CC(=O)CO)C1CCC1.
What is the InChIKey of 4-cyclobutyl-1-hydroxypentan-2-one?
The InChIKey is FDRKHCNAKLQJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(5-9(11)6-10)8-3-2-4-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-cyclobutyl-1-hydroxypentan-2-one?
4-cyclobutyl-1-hydroxypentan-2-one has a molecular weight of 156.22 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1-hydroxypentan-2-one is sourced from PubChem (CID 123792654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).