4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one

C11H16O2 — CID 152897390

IUPAC4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one
SMILESC=CCC1(CC=C)C(=O)OCC1C
InChIInChI=1S/C11H16O2/c1-4-6-11(7-5-2)9(3)8-13-10(11)12/h4-5,9H,1-2,6-8H2,3H3
InChIKeyUEQQBECANZNUJU-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.32
Rot. Bonds4

About 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one

4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one (PubChem CID 152897390) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one.

Molecular Properties

Compound Name4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one
PubChem CID152897390
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one
SMILESC=CCC1(CC=C)C(=O)OCC1C
InChIInChI=1S/C11H16O2/c1-4-6-11(7-5-2)9(3)8-13-10(11)12/h4-5,9H,1-2,6-8H2,3H3
InChIKeyUEQQBECANZNUJU-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-3,3-bis(prop-2-enyl)oxolan-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

3-(Prop-2-en-1-yl)oxolan-2-one
CID 12535140
Ethyl alpha-allylisovalerate
CID 13246109
Ethyl 2,2-dimethylhex-5-enoate
CID 14906730
Methyl-2-allyl-butanolide
CID 10898804
Ethyl 2,2-bis(prop-2-enyl)pent-4-enoate
CID 12624745
Ethyl 2,2-diethylpent-4-enoate
CID 12728705
Ethyl 3,3-dimethylhex-5-enoate
CID 13119653
Ethyl 3-tert-butylhex-5-enoate
CID 13618228
Ethyl 2-tert-butylpent-4-enoate
CID 14718697
Ethyl 2-ethyl-2-methylpent-4-enoate
CID 85943057
Cyclopropanecarboxylic acid, 3-ethenyl-2,2-dimethyl-, ethyl ester
CID 565177
3a-methyl-4,6a-dihydro-1H-cyclopenta[c]furan-3-one
CID 70126309

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one?
The IUPAC name of 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one (CID 152897390) is 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one.
What is the SMILES notation for 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one?
The canonical SMILES for 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one is C=CCC1(CC=C)C(=O)OCC1C.
What is the InChIKey of 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one?
The InChIKey is UEQQBECANZNUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-6-11(7-5-2)9(3)8-13-10(11)12/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one?
4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,3-bis(prop-2-enyl)oxolan-2-one is sourced from PubChem (CID 152897390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).