4-(2-methylpentan-3-yl)-2H-furan-5-one

C10H16O2 — CID 57098628

IUPAC4-(2-methylpentan-3-yl)-2H-furan-5-one
SMILESCCC(C1=CCOC1=O)C(C)C
InChIInChI=1S/C10H16O2/c1-4-8(7(2)3)9-5-6-12-10(9)11/h5,7-8H,4,6H2,1-3H3
InChIKeyDDQIOYHTAHMHIT-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds3

About 4-(2-methylpentan-3-yl)-2H-furan-5-one

4-(2-methylpentan-3-yl)-2H-furan-5-one (PubChem CID 57098628) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(2-methylpentan-3-yl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(2-methylpentan-3-yl)-2H-furan-5-one
PubChem CID57098628
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-(2-methylpentan-3-yl)-2H-furan-5-one
SMILESCCC(C1=CCOC1=O)C(C)C
InChIInChI=1S/C10H16O2/c1-4-8(7(2)3)9-5-6-12-10(9)11/h5,7-8H,4,6H2,1-3H3
InChIKeyDDQIOYHTAHMHIT-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylpentan-3-yl)-2H-furan-5-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 4-(2-methylpentan-3-yl)-2H-furan-5-one?
The IUPAC name of 4-(2-methylpentan-3-yl)-2H-furan-5-one (CID 57098628) is 4-(2-methylpentan-3-yl)-2H-furan-5-one.
What is the SMILES notation for 4-(2-methylpentan-3-yl)-2H-furan-5-one?
The canonical SMILES for 4-(2-methylpentan-3-yl)-2H-furan-5-one is CCC(C1=CCOC1=O)C(C)C.
What is the InChIKey of 4-(2-methylpentan-3-yl)-2H-furan-5-one?
The InChIKey is DDQIOYHTAHMHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-8(7(2)3)9-5-6-12-10(9)11/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 4-(2-methylpentan-3-yl)-2H-furan-5-one?
4-(2-methylpentan-3-yl)-2H-furan-5-one has a molecular weight of 168.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentan-3-yl)-2H-furan-5-one is sourced from PubChem (CID 57098628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).