3-methylidene-4,5-bis(prop-2-enyl)oxolan-2-one

C11H14O2 — CID 134857181

IUPAC3-methylidene-4,5-bis(prop-2-enyl)oxolan-2-one
SMILESC=CCC1OC(=O)C(=C)C1CC=C
InChIInChI=1S/C11H14O2/c1-4-6-9-8(3)11(12)13-10(9)7-5-2/h4-5,9-10H,1-3,6-7H2
InChIKeyVYVODKKEKZRCRS-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.24
Rot. Bonds4

About 3-methylidene-4,5-bis(prop-2-enyl)oxolan-2-one

3-methylidene-4,5-bis(prop-2-enyl)oxolan-2-one (PubChem CID 134857181) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-methylidene-4,5-bis(prop-2-enyl)oxolan-2-one.

Molecular Properties

Compound Name3-methylidene-4,5-bis(prop-2-enyl)oxolan-2-one
PubChem CID134857181
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-methylidene-4,5-bis(prop-2-enyl)oxolan-2-one
SMILESC=CCC1OC(=O)C(=C)C1CC=C
InChIInChI=1S/C11H14O2/c1-4-6-9-8(3)11(12)13-10(9)7-5-2/h4-5,9-10H,1-3,6-7H2
InChIKeyVYVODKKEKZRCRS-UHFFFAOYSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-methylidene-4,5-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

5-Ethyl-3-methylene-dihydro-furan-2-one
CID 10725353
5,5-Diethyl-3-methylideneoxolan-2-one
CID 12377493
5-Ethyl-5-methyl-3-methylideneoxolan-2-one
CID 12461483
5-Tert-butyl-3-methylideneoxolan-2-one
CID 13554335
(4S,5R)-4,5-dimethyl-3-methylideneoxolan-2-one
CID 12789118
(4R,5S)-4,5-dimethyl-3-methylideneoxolan-2-one
CID 12789119
(4S,5S)-4-methyl-3-methylidene-5-propan-2-yloxolan-2-one
CID 14812498
(3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one
CID 10855848
(3R,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one
CID 11789573
(3R,4S,5R)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one
CID 163016730
2(3H)-Furanone, dihydro-3-methylene-5-(2-methylpropyl)-
CID 12303378
4,5-Dimethyl-3-methylideneoxolan-2-one
CID 12789117

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-4,5-bis(prop-2-enyl)oxolan-2-one?
The IUPAC name of 3-methylidene-4,5-bis(prop-2-enyl)oxolan-2-one (CID 134857181) is 3-methylidene-4,5-bis(prop-2-enyl)oxolan-2-one.
What is the SMILES notation for 3-methylidene-4,5-bis(prop-2-enyl)oxolan-2-one?
The canonical SMILES for 3-methylidene-4,5-bis(prop-2-enyl)oxolan-2-one is C=CCC1OC(=O)C(=C)C1CC=C.
What is the InChIKey of 3-methylidene-4,5-bis(prop-2-enyl)oxolan-2-one?
The InChIKey is VYVODKKEKZRCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-4-6-9-8(3)11(12)13-10(9)7-5-2/h4-5,9-10H,1-3,6-7H2.
What are the key properties of 3-methylidene-4,5-bis(prop-2-enyl)oxolan-2-one?
3-methylidene-4,5-bis(prop-2-enyl)oxolan-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4,5-bis(prop-2-enyl)oxolan-2-one is sourced from PubChem (CID 134857181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).