1-cyclohex-3-en-1-yl-4-hydroxybutan-1-one

C10H16O2 — CID 89079848

IUPAC1-cyclohex-3-en-1-yl-4-hydroxybutan-1-one
SMILESO=C(CCCO)C1CC=CCC1
InChIInChI=1S/C10H16O2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-2,9,11H,3-8H2
InChIKeyBRCXZZVTIGEXES-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds4

About 1-cyclohex-3-en-1-yl-4-hydroxybutan-1-one

1-cyclohex-3-en-1-yl-4-hydroxybutan-1-one (PubChem CID 89079848) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-4-hydroxybutan-1-one.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-4-hydroxybutan-1-one
PubChem CID89079848
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-cyclohex-3-en-1-yl-4-hydroxybutan-1-one
SMILESO=C(CCCO)C1CC=CCC1
InChIInChI=1S/C10H16O2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-2,9,11H,3-8H2
InChIKeyBRCXZZVTIGEXES-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-cyclohex-3-en-1-yl-2-nitroethanone
CID 130676211
1-cyclooctyl-4-hydroxybutan-1-one
CID 134987719
N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 103767491
1-[(1R)-cyclohex-3-en-1-yl]ethanone
CID 15562643
(3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid
CID 177407584
N-(2-hydroxyethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 60740028
ethyl 3-cyclohex-3-en-1-yl-3-oxopropanoate
CID 102362689
cadmium(2+);bis(cyclohex-3-ene-1-carboxylate)
CID 22604823
N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide
CID 43573246
3-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24699989
disodium;carbanide;cobalt(3+);(5Z)-cycloocta-1,5-diene;cyclopentane;1-[(1R)-cyclopent-2-en-1-yl]-4-hydroxybutan-1-one;1-cyclopentyl-4-hydroxybutan-1-one;oxolan-2-one
CID 158687253
N-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide
CID 103772445

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-4-hydroxybutan-1-one?
The IUPAC name of 1-cyclohex-3-en-1-yl-4-hydroxybutan-1-one (CID 89079848) is 1-cyclohex-3-en-1-yl-4-hydroxybutan-1-one.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-4-hydroxybutan-1-one?
The canonical SMILES for 1-cyclohex-3-en-1-yl-4-hydroxybutan-1-one is O=C(CCCO)C1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-4-hydroxybutan-1-one?
The InChIKey is BRCXZZVTIGEXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-2,9,11H,3-8H2.
What are the key properties of 1-cyclohex-3-en-1-yl-4-hydroxybutan-1-one?
1-cyclohex-3-en-1-yl-4-hydroxybutan-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-4-hydroxybutan-1-one is sourced from PubChem (CID 89079848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).