5-ethenyl-5-methyl-3-(2-methylprop-1-enyl)oxolan-2-one

C11H16O2 — CID 6429093

IUPAC5-ethenyl-5-methyl-3-(2-methylprop-1-enyl)oxolan-2-one
SMILESC=CC1(C)CC(C=C(C)C)C(=O)O1
InChIInChI=1S/C11H16O2/c1-5-11(4)7-9(6-8(2)3)10(12)13-11/h5-6,9H,1,7H2,2-4H3
InChIKeyXWGYDDYYOWAEQP-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.46
Rot. Bonds2

About 5-ethenyl-5-methyl-3-(2-methylprop-1-enyl)oxolan-2-one

5-ethenyl-5-methyl-3-(2-methylprop-1-enyl)oxolan-2-one (PubChem CID 6429093) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-ethenyl-5-methyl-3-(2-methylprop-1-enyl)oxolan-2-one.

Molecular Properties

Compound Name5-ethenyl-5-methyl-3-(2-methylprop-1-enyl)oxolan-2-one
PubChem CID6429093
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5-ethenyl-5-methyl-3-(2-methylprop-1-enyl)oxolan-2-one
SMILESC=CC1(C)CC(C=C(C)C)C(=O)O1
InChIInChI=1S/C11H16O2/c1-5-11(4)7-9(6-8(2)3)10(12)13-11/h5-6,9H,1,7H2,2-4H3
InChIKeyXWGYDDYYOWAEQP-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.46
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

Linalyl isobutyrate
CID 6532
Linalyl propionate
CID 61098
Linalyl isovalerate
CID 240119
Linalyl butyrate
CID 62321
Linalyl valerate
CID 112045
Marmelolactone A
CID 101282726
Marmelolactone B
CID 101282733
Butanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
CID 112139
3-methyl-5-[(1Z)-3-methylbuta-1,3-dienyl]oxolan-2-one
CID 131751904
2(3H)-Furanone, dihydro-5,5-dimethyl-4-(2-methyl-1-propenyl)-
CID 99999
(3S,5S)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one
CID 162990243
3-Methyl-5-(3-methylbuta-1,3-dienyl)oxolan-2-one
CID 54402421

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-5-methyl-3-(2-methylprop-1-enyl)oxolan-2-one?
The IUPAC name of 5-ethenyl-5-methyl-3-(2-methylprop-1-enyl)oxolan-2-one (CID 6429093) is 5-ethenyl-5-methyl-3-(2-methylprop-1-enyl)oxolan-2-one.
What is the SMILES notation for 5-ethenyl-5-methyl-3-(2-methylprop-1-enyl)oxolan-2-one?
The canonical SMILES for 5-ethenyl-5-methyl-3-(2-methylprop-1-enyl)oxolan-2-one is C=CC1(C)CC(C=C(C)C)C(=O)O1.
What is the InChIKey of 5-ethenyl-5-methyl-3-(2-methylprop-1-enyl)oxolan-2-one?
The InChIKey is XWGYDDYYOWAEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-11(4)7-9(6-8(2)3)10(12)13-11/h5-6,9H,1,7H2,2-4H3.
What are the key properties of 5-ethenyl-5-methyl-3-(2-methylprop-1-enyl)oxolan-2-one?
5-ethenyl-5-methyl-3-(2-methylprop-1-enyl)oxolan-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-5-methyl-3-(2-methylprop-1-enyl)oxolan-2-one is sourced from PubChem (CID 6429093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).