4-(2-Methylpropyl)furan-3-one

C8H12O2 — CID 13759280

IUPAC4-(2-methylpropyl)furan-3-one
SMILESCC(C)CC1=COCC1=O
InChIInChI=1S/C8H12O2/c1-6(2)3-7-4-10-5-8(7)9/h4,6H,3,5H2,1-2H3
InChIKeyXWLAUHOQYJGBDN-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.70
Rot. Bonds2

About 4-(2-Methylpropyl)furan-3-one

4-(2-Methylpropyl)furan-3-one (PubChem CID 13759280) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-(2-methylpropyl)furan-3-one.

Molecular Properties

Compound Name4-(2-Methylpropyl)furan-3-one
PubChem CID13759280
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-(2-methylpropyl)furan-3-one
SMILESCC(C)CC1=COCC1=O
InChIInChI=1S/C8H12O2/c1-6(2)3-7-4-10-5-8(7)9/h4,6H,3,5H2,1-2H3
InChIKeyXWLAUHOQYJGBDN-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity168

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-Methylpropyl)furan-3-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

1-(2,3-Dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one
CID 130579835
2-Methyl-4-(2-methylpropyl)furan-3-one
CID 13759285
4-Propan-2-ylfuran-3-one
CID 59187403
4-Propylfuran-3-one
CID 59527642
4-(2,2-Dimethylpropyl)furan-3-one
CID 118013504
2-(2-Methylpropyl)furan-3-one
CID 139707457
2-Methyl-2-(2-methylprop-2-enyl)furan-3-one
CID 140287324
3-Butan-2-yl-5-hydroxypyran-4-one
CID 144512940
[5-(3-Methylbutan-2-yl)-4-oxopyran-3-yl]oxidanium
CID 147940226
4-Butylfuran-3-one
CID 11062473
2,2-Dimethyl-4-(2-methylpropyl)furan-3-one
CID 13759288
4-Ethyl-2,2-dimethylfuran-3-one
CID 13759289

Frequently Asked Questions

What is the IUPAC name of 4-(2-Methylpropyl)furan-3-one?
The IUPAC name of 4-(2-Methylpropyl)furan-3-one (CID 13759280) is 4-(2-methylpropyl)furan-3-one.
What is the SMILES notation for 4-(2-Methylpropyl)furan-3-one?
The canonical SMILES for 4-(2-Methylpropyl)furan-3-one is CC(C)CC1=COCC1=O.
What is the InChIKey of 4-(2-Methylpropyl)furan-3-one?
The InChIKey is XWLAUHOQYJGBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(2)3-7-4-10-5-8(7)9/h4,6H,3,5H2,1-2H3.
What are the key properties of 4-(2-Methylpropyl)furan-3-one?
4-(2-Methylpropyl)furan-3-one has a molecular weight of 140.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-Methylpropyl)furan-3-one is sourced from PubChem (CID 13759280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).