(2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one

C15H24O2 — CID 163033127

IUPAC(2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one
SMILESC=C[C@@]1(C)CCC(=O)[C@@](C)(CCC=C(C)C)O1
InChIInChI=1S/C15H24O2/c1-6-14(4)11-9-13(16)15(5,17-14)10-7-8-12(2)3/h6,8H,1,7,9-11H2,2-5H3/t14-,15+/m0/s1
InChIKeyIPMAESOGOSAYQW-LSDHHAIUSA-N
MW236.35 g/mol
LogP3.82
Rot. Bonds4

About (2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one

(2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one (PubChem CID 163033127) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one.

Molecular Properties

Compound Name(2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one
PubChem CID163033127
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one
SMILESC=C[C@@]1(C)CCC(=O)[C@@](C)(CCC=C(C)C)O1
InChIInChI=1S/C15H24O2/c1-6-14(4)11-9-13(16)15(5,17-14)10-7-8-12(2)3/h6,8H,1,7,9-11H2,2-5H3/t14-,15+/m0/s1
InChIKeyIPMAESOGOSAYQW-LSDHHAIUSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-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

2H-Pyran-3(4H)-one, 6-ethenyldihydro-2,2,6-trimethyl-
CID 549336
(S-(R*,R*))-dihydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3(4H)-one
CID 91700388
6-Oxocyclonerolidol
CID 13919629
2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one
CID 90807
(-)-2,6,6-Trimethyl-2(R)-vinyltetrahydropyran-5-one
CID 101607907
(1S,5S)-7-(bromomethyl)-1,5-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-2-one
CID 11345572
1,5,7-Trimethyl-8-oxabicyclo[3.2.1]oct-6-en-2-one
CID 86018488
2,6,6-Trimethyl-2-vinyl-tetrahydropyran-3-one
CID 85580088
1-[(1R,6S)-5-methyl-10-oxabicyclo[4.3.1]dec-4-en-1-yl]ethanone
CID 101714982
6-Ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one
CID 13919628
4-Methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione
CID 143091913
1-(1-Methoxy-2-methylcyclohexa-2,5-dien-1-yl)heptan-1-one
CID 149647284

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one?
The IUPAC name of (2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one (CID 163033127) is (2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one.
What is the SMILES notation for (2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one?
The canonical SMILES for (2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one is C=C[C@@]1(C)CCC(=O)[C@@](C)(CCC=C(C)C)O1.
What is the InChIKey of (2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one?
The InChIKey is IPMAESOGOSAYQW-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-14(4)11-9-13(16)15(5,17-14)10-7-8-12(2)3/h6,8H,1,7,9-11H2,2-5H3/t14-,15+/m0/s1.
What are the key properties of (2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one?
(2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one has a molecular weight of 236.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one is sourced from PubChem (CID 163033127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).