2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone

C12H16O2 — CID 130579337

IUPAC2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone
SMILESO=C(CC1=CCCCC1)C1=COCC1
InChIInChI=1S/C12H16O2/c13-12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h4,9H,1-3,5-8H2
InChIKeyYZKKTFNYTGWNIN-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.75
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone

2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone (PubChem CID 130579337) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone
PubChem CID130579337
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone
SMILESO=C(CC1=CCCCC1)C1=COCC1
InChIInChI=1S/C12H16O2/c13-12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h4,9H,1-3,5-8H2
InChIKeyYZKKTFNYTGWNIN-UHFFFAOYSA-N
XLogP2.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-1-(furan-2-yl)ethanone
CID 116659668
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone
CID 116659602
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331
1-(2,3-dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one
CID 130579209
2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone
CID 116659694
2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone
CID 116659845
1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)ethanone
CID 107359442
1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one
CID 116659708
2-(cyclohexen-1-yl)ethanethioamide
CID 82668044
ethyl 2-(cycloocten-1-yl)acetate
CID 67663931

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone (CID 130579337) is 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone is O=C(CC1=CCCCC1)C1=COCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone?
The InChIKey is YZKKTFNYTGWNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h4,9H,1-3,5-8H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone?
2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone has a molecular weight of 192.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone is sourced from PubChem (CID 130579337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).