6-ethenyl-3,3-dimethyloxan-2-one

C9H14O2 — CID 56834407

IUPAC6-ethenyl-3,3-dimethyloxan-2-one
SMILESC=CC1CCC(C)(C)C(=O)O1
InChIInChI=1S/C9H14O2/c1-4-7-5-6-9(2,3)8(10)11-7/h4,7H,1,5-6H2,2-3H3
InChIKeyVOXPDWJNCJTKRH-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds1

About 6-ethenyl-3,3-dimethyloxan-2-one

6-ethenyl-3,3-dimethyloxan-2-one (PubChem CID 56834407) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-ethenyl-3,3-dimethyloxan-2-one.

Molecular Properties

Compound Name6-ethenyl-3,3-dimethyloxan-2-one
PubChem CID56834407
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6-ethenyl-3,3-dimethyloxan-2-one
SMILESC=CC1CCC(C)(C)C(=O)O1
InChIInChI=1S/C9H14O2/c1-4-7-5-6-9(2,3)8(10)11-7/h4,7H,1,5-6H2,2-3H3
InChIKeyVOXPDWJNCJTKRH-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-ethenyl-3,3-dimethyloxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Vinyltetrahydro-2H-pyran-2-one
CID 12633586
(3S)-3-methyl-3-prop-2-enyloxan-2-one
CID 121263050
3-ethyl-6-vinyltetrahydro-2H-pyran-2-one
CID 163360649
(6R)-6-ethenyloxan-2-one
CID 10942422
(6S)-6-(cyclohexylidenemethyl)-3,3-dimethyloxan-2-one
CID 122378132
(6S)-3,3-dimethyl-6-(2-methylprop-1-enyl)oxan-2-one
CID 122378139
[(3R)-6,6-dimethylhept-1-en-3-yl] 3,3-dimethylbutanoate
CID 134862196
(6R)-6-ethenyl-3-methyloxan-2-one
CID 134870515
(6R)-6-[(E)-but-1-enyl]-3-methyloxan-2-one
CID 134870699
(6S)-3,3-diethyl-6-(2-methylprop-1-enyl)oxan-2-one
CID 134966833
(6S)-6-(2-ethylbut-1-enyl)-3,3-dimethyloxan-2-one
CID 134966962
(3S)-6-ethenyl-3-methyloxan-2-one
CID 135040702

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3,3-dimethyloxan-2-one?
The IUPAC name of 6-ethenyl-3,3-dimethyloxan-2-one (CID 56834407) is 6-ethenyl-3,3-dimethyloxan-2-one.
What is the SMILES notation for 6-ethenyl-3,3-dimethyloxan-2-one?
The canonical SMILES for 6-ethenyl-3,3-dimethyloxan-2-one is C=CC1CCC(C)(C)C(=O)O1.
What is the InChIKey of 6-ethenyl-3,3-dimethyloxan-2-one?
The InChIKey is VOXPDWJNCJTKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-7-5-6-9(2,3)8(10)11-7/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 6-ethenyl-3,3-dimethyloxan-2-one?
6-ethenyl-3,3-dimethyloxan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3,3-dimethyloxan-2-one is sourced from PubChem (CID 56834407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).