4-methyl-3,5,5-tris(2-methylprop-2-enyl)furan-2-one

C17H24O2 — CID 544461

IUPAC4-methyl-3,5,5-tris(2-methylprop-2-enyl)furan-2-one
SMILESC=C(C)CC1=C(C)C(CC(=C)C)(CC(=C)C)OC1=O
InChIInChI=1S/C17H24O2/c1-11(2)8-15-14(7)17(9-12(3)4,10-13(5)6)19-16(15)18/h1,3,5,8-10H2,2,4,6-7H3
InChIKeyOTGHWTWPTYDGNN-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.50
Rot. Bonds6

About 4-methyl-3,5,5-tris(2-methylprop-2-enyl)furan-2-one

4-methyl-3,5,5-tris(2-methylprop-2-enyl)furan-2-one (PubChem CID 544461) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-methyl-3,5,5-tris(2-methylprop-2-enyl)furan-2-one.

Molecular Properties

Compound Name4-methyl-3,5,5-tris(2-methylprop-2-enyl)furan-2-one
PubChem CID544461
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name4-methyl-3,5,5-tris(2-methylprop-2-enyl)furan-2-one
SMILESC=C(C)CC1=C(C)C(CC(=C)C)(CC(=C)C)OC1=O
InChIInChI=1S/C17H24O2/c1-11(2)8-15-14(7)17(9-12(3)4,10-13(5)6)19-16(15)18/h1,3,5,8-10H2,2,4,6-7H3
InChIKeyOTGHWTWPTYDGNN-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5,5-tris(2-methylprop-2-enyl)furan-2-one?
The IUPAC name of 4-methyl-3,5,5-tris(2-methylprop-2-enyl)furan-2-one (CID 544461) is 4-methyl-3,5,5-tris(2-methylprop-2-enyl)furan-2-one.
What is the SMILES notation for 4-methyl-3,5,5-tris(2-methylprop-2-enyl)furan-2-one?
The canonical SMILES for 4-methyl-3,5,5-tris(2-methylprop-2-enyl)furan-2-one is C=C(C)CC1=C(C)C(CC(=C)C)(CC(=C)C)OC1=O.
What is the InChIKey of 4-methyl-3,5,5-tris(2-methylprop-2-enyl)furan-2-one?
The InChIKey is OTGHWTWPTYDGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-11(2)8-15-14(7)17(9-12(3)4,10-13(5)6)19-16(15)18/h1,3,5,8-10H2,2,4,6-7H3.
What are the key properties of 4-methyl-3,5,5-tris(2-methylprop-2-enyl)furan-2-one?
4-methyl-3,5,5-tris(2-methylprop-2-enyl)furan-2-one has a molecular weight of 260.38 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5,5-tris(2-methylprop-2-enyl)furan-2-one is sourced from PubChem (CID 544461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).