(2S,3R)-2-ethenyl-3,4-dimethyl-2,3-dihydropyran-6-one

C9H12O2 — CID 135040951

IUPAC(2S,3R)-2-ethenyl-3,4-dimethyl-2,3-dihydropyran-6-one
SMILESC=C[C@@H]1OC(=O)C=C(C)[C@H]1C
InChIInChI=1S/C9H12O2/c1-4-8-7(3)6(2)5-9(10)11-8/h4-5,7-8H,1H2,2-3H3/t7-,8+/m1/s1
InChIKeyXVVXGEYDMNWBOR-SFYZADRCSA-N
MW152.19 g/mol
LogP1.68
Rot. Bonds1

About (2S,3R)-2-ethenyl-3,4-dimethyl-2,3-dihydropyran-6-one

(2S,3R)-2-ethenyl-3,4-dimethyl-2,3-dihydropyran-6-one (PubChem CID 135040951) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (2S,3R)-2-ethenyl-3,4-dimethyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S,3R)-2-ethenyl-3,4-dimethyl-2,3-dihydropyran-6-one
PubChem CID135040951
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(2S,3R)-2-ethenyl-3,4-dimethyl-2,3-dihydropyran-6-one
SMILESC=C[C@@H]1OC(=O)C=C(C)[C@H]1C
InChIInChI=1S/C9H12O2/c1-4-8-7(3)6(2)5-9(10)11-8/h4-5,7-8H,1H2,2-3H3/t7-,8+/m1/s1
InChIKeyXVVXGEYDMNWBOR-SFYZADRCSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.68
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

Lavandulyl Senecioate
CID 11264867
2,6-Octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (2E)-
CID 6435040
6-propyl-5,6-dihydro-2H-pyran-2-one
CID 13949543
(2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one
CID 10678930
4,6,6-Trimethyl-5,6-dihydro-2H-pyran-2-one
CID 247461
(2S,3S)-2-[(1E,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]-3-methyl-2,3-dihydropyran-6-one
CID 137650531
4-Isopropyl-5,6-dihydro-2h-pyran-2-one
CID 9942166
2-Cyclohexen-1-ol, 5-methylene-6-(1-methylethenyl)-, acetate, (1S-cis)-
CID 208438
2-But-3-enyl-2,3-dihydropyran-6-one
CID 76321909
[(1S,4S,5R)-4-acetyloxy-6-methylidene-5-prop-1-en-2-ylcyclohex-2-en-1-yl] (E)-2-methylbut-2-enoate
CID 163189224
5-Methyl-2-(prop-1-EN-2-YL)hex-4-EN-1-YL 3-methylbut-2-enoate
CID 15512841
3-Isopropyl-2-penten-4-olide
CID 86168058

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethenyl-3,4-dimethyl-2,3-dihydropyran-6-one?
The IUPAC name of (2S,3R)-2-ethenyl-3,4-dimethyl-2,3-dihydropyran-6-one (CID 135040951) is (2S,3R)-2-ethenyl-3,4-dimethyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S,3R)-2-ethenyl-3,4-dimethyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2S,3R)-2-ethenyl-3,4-dimethyl-2,3-dihydropyran-6-one is C=C[C@@H]1OC(=O)C=C(C)[C@H]1C.
What is the InChIKey of (2S,3R)-2-ethenyl-3,4-dimethyl-2,3-dihydropyran-6-one?
The InChIKey is XVVXGEYDMNWBOR-SFYZADRCSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-8-7(3)6(2)5-9(10)11-8/h4-5,7-8H,1H2,2-3H3/t7-,8+/m1/s1.
What are the key properties of (2S,3R)-2-ethenyl-3,4-dimethyl-2,3-dihydropyran-6-one?
(2S,3R)-2-ethenyl-3,4-dimethyl-2,3-dihydropyran-6-one has a molecular weight of 152.19 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethenyl-3,4-dimethyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 135040951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).