4-methyl-5,5-bis(2-methylprop-2-enyl)furan-2-one

C13H18O2 — CID 591980

IUPAC4-methyl-5,5-bis(2-methylprop-2-enyl)furan-2-one
SMILESC=C(C)CC1(CC(=C)C)OC(=O)C=C1C
InChIInChI=1S/C13H18O2/c1-9(2)7-13(8-10(3)4)11(5)6-12(14)15-13/h6H,1,3,7-8H2,2,4-5H3
InChIKeyWCXKBCCRHJSULK-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.16
Rot. Bonds4

About 4-methyl-5,5-bis(2-methylprop-2-enyl)furan-2-one

4-methyl-5,5-bis(2-methylprop-2-enyl)furan-2-one (PubChem CID 591980) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-methyl-5,5-bis(2-methylprop-2-enyl)furan-2-one.

Molecular Properties

Compound Name4-methyl-5,5-bis(2-methylprop-2-enyl)furan-2-one
PubChem CID591980
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4-methyl-5,5-bis(2-methylprop-2-enyl)furan-2-one
SMILESC=C(C)CC1(CC(=C)C)OC(=O)C=C1C
InChIInChI=1S/C13H18O2/c1-9(2)7-13(8-10(3)4)11(5)6-12(14)15-13/h6H,1,3,7-8H2,2,4-5H3
InChIKeyWCXKBCCRHJSULK-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-5,5-bis(2-methylprop-2-enyl)furan-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

4,6,6-Trimethyl-5,6-dihydro-2H-pyran-2-one
CID 247461
plakilactone C
CID 71451878
Acetic acid, (2-isopropenylcyclopentylidene)-, methyl ester
CID 5374717
(5S)-4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
CID 21668635
(5R)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]furan-2-one
CID 11586873
3-Ethyl-4-methyl-2-penten-4-olide
CID 86168060
(5S)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]furan-2-one
CID 162856502
4-Hexyl-5,5-dimethylfuran-2-one
CID 10679409
Agn-PC-03E5J0
CID 11126831
3-Methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 10942809
4-Methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 12471977
[1-[(E)-prop-1-enyl]cyclopentyl] acetate
CID 12721514

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,5-bis(2-methylprop-2-enyl)furan-2-one?
The IUPAC name of 4-methyl-5,5-bis(2-methylprop-2-enyl)furan-2-one (CID 591980) is 4-methyl-5,5-bis(2-methylprop-2-enyl)furan-2-one.
What is the SMILES notation for 4-methyl-5,5-bis(2-methylprop-2-enyl)furan-2-one?
The canonical SMILES for 4-methyl-5,5-bis(2-methylprop-2-enyl)furan-2-one is C=C(C)CC1(CC(=C)C)OC(=O)C=C1C.
What is the InChIKey of 4-methyl-5,5-bis(2-methylprop-2-enyl)furan-2-one?
The InChIKey is WCXKBCCRHJSULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9(2)7-13(8-10(3)4)11(5)6-12(14)15-13/h6H,1,3,7-8H2,2,4-5H3.
What are the key properties of 4-methyl-5,5-bis(2-methylprop-2-enyl)furan-2-one?
4-methyl-5,5-bis(2-methylprop-2-enyl)furan-2-one has a molecular weight of 206.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,5-bis(2-methylprop-2-enyl)furan-2-one is sourced from PubChem (CID 591980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).