5-but-1-en-2-yl-4-methyl-5-(2-methylprop-2-enyl)furan-2-one

C13H18O2 — CID 591976

IUPAC5-but-1-en-2-yl-4-methyl-5-(2-methylprop-2-enyl)furan-2-one
SMILESC=C(C)CC1(C(=C)CC)OC(=O)C=C1C
InChIInChI=1S/C13H18O2/c1-6-10(4)13(8-9(2)3)11(5)7-12(14)15-13/h7H,2,4,6,8H2,1,3,5H3
InChIKeyPVONOIGZLDZYFW-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.16
Rot. Bonds4

About 5-but-1-en-2-yl-4-methyl-5-(2-methylprop-2-enyl)furan-2-one

5-but-1-en-2-yl-4-methyl-5-(2-methylprop-2-enyl)furan-2-one (PubChem CID 591976) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5-but-1-en-2-yl-4-methyl-5-(2-methylprop-2-enyl)furan-2-one.

Molecular Properties

Compound Name5-but-1-en-2-yl-4-methyl-5-(2-methylprop-2-enyl)furan-2-one
PubChem CID591976
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name5-but-1-en-2-yl-4-methyl-5-(2-methylprop-2-enyl)furan-2-one
SMILESC=C(C)CC1(C(=C)CC)OC(=O)C=C1C
InChIInChI=1S/C13H18O2/c1-6-10(4)13(8-9(2)3)11(5)7-12(14)15-13/h7H,2,4,6,8H2,1,3,5H3
InChIKeyPVONOIGZLDZYFW-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 5-but-1-en-2-yl-4-methyl-5-(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

Frequently Asked Questions

What is the IUPAC name of 5-but-1-en-2-yl-4-methyl-5-(2-methylprop-2-enyl)furan-2-one?
The IUPAC name of 5-but-1-en-2-yl-4-methyl-5-(2-methylprop-2-enyl)furan-2-one (CID 591976) is 5-but-1-en-2-yl-4-methyl-5-(2-methylprop-2-enyl)furan-2-one.
What is the SMILES notation for 5-but-1-en-2-yl-4-methyl-5-(2-methylprop-2-enyl)furan-2-one?
The canonical SMILES for 5-but-1-en-2-yl-4-methyl-5-(2-methylprop-2-enyl)furan-2-one is C=C(C)CC1(C(=C)CC)OC(=O)C=C1C.
What is the InChIKey of 5-but-1-en-2-yl-4-methyl-5-(2-methylprop-2-enyl)furan-2-one?
The InChIKey is PVONOIGZLDZYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-6-10(4)13(8-9(2)3)11(5)7-12(14)15-13/h7H,2,4,6,8H2,1,3,5H3.
What are the key properties of 5-but-1-en-2-yl-4-methyl-5-(2-methylprop-2-enyl)furan-2-one?
5-but-1-en-2-yl-4-methyl-5-(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 5-but-1-en-2-yl-4-methyl-5-(2-methylprop-2-enyl)furan-2-one is sourced from PubChem (CID 591976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).