3-cyclohex-2-en-1-yloxan-4-one

C11H16O2 — CID 106468850

IUPAC3-cyclohex-2-en-1-yloxan-4-one
SMILESO=C1CCOCC1C1C=CCCC1
InChIInChI=1S/C11H16O2/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9/h2,4,9-10H,1,3,5-8H2
InChIKeyRPVYWRFNRDZNEO-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.95
Rot. Bonds1

About 3-cyclohex-2-en-1-yloxan-4-one

3-cyclohex-2-en-1-yloxan-4-one (PubChem CID 106468850) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-yloxan-4-one.

Molecular Properties

Compound Name3-cyclohex-2-en-1-yloxan-4-one
PubChem CID106468850
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-cyclohex-2-en-1-yloxan-4-one
SMILESO=C1CCOCC1C1C=CCCC1
InChIInChI=1S/C11H16O2/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9/h2,4,9-10H,1,3,5-8H2
InChIKeyRPVYWRFNRDZNEO-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.95
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

Deodarone
CID 14657303
(6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-one
CID 101162778
Ethyl alpha-acetyl-2-cyclohexene-1-acetate
CID 11009195
Hexahydrochromone
CID 153695734
(2S,3R,6R)-2-hex-5-enyl-3,6-dimethyloxan-4-one
CID 9794332
(1R,2R,6R,7R,8R,9R)-3-methyl-6-propan-2-yl-9-prop-2-enyl-12-oxatricyclo[6.3.1.02,7]dodec-3-en-10-one
CID 11659116
1-[(2S,5R)-2-prop-2-enyl-1-oxaspiro[5.5]undecan-5-yl]ethanone
CID 11687317
Hexahydrobenzo chromen-4-one
CID 129844594
ethyl (Z)-3-oxo-6-propan-2-yldec-7-enoate
CID 134833522
1-[(2R,5S,6S)-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]propan-2-one
CID 162415100
Trichobisabolin M
CID 170989130
Trichobisabolin N
CID 170989132

Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-2-en-1-yloxan-4-one?
The IUPAC name of 3-cyclohex-2-en-1-yloxan-4-one (CID 106468850) is 3-cyclohex-2-en-1-yloxan-4-one.
What is the SMILES notation for 3-cyclohex-2-en-1-yloxan-4-one?
The canonical SMILES for 3-cyclohex-2-en-1-yloxan-4-one is O=C1CCOCC1C1C=CCCC1.
What is the InChIKey of 3-cyclohex-2-en-1-yloxan-4-one?
The InChIKey is RPVYWRFNRDZNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9/h2,4,9-10H,1,3,5-8H2.
What are the key properties of 3-cyclohex-2-en-1-yloxan-4-one?
3-cyclohex-2-en-1-yloxan-4-one has a molecular weight of 180.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-2-en-1-yloxan-4-one is sourced from PubChem (CID 106468850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).