3,4-dimethyl-2-pentyl-2H-furan-5-one

C11H18O2 — CID 13192443

IUPAC3,4-dimethyl-2-pentyl-2H-furan-5-one
SMILESCCCCCC1OC(=O)C(C)=C1C
InChIInChI=1S/C11H18O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h10H,4-7H2,1-3H3
InChIKeyLRKURLXWGJNWOJ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds4

About 3,4-dimethyl-2-pentyl-2H-furan-5-one

3,4-dimethyl-2-pentyl-2H-furan-5-one (PubChem CID 13192443) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3,4-dimethyl-2-pentyl-2H-furan-5-one.

Molecular Properties

Compound Name3,4-dimethyl-2-pentyl-2H-furan-5-one
PubChem CID13192443
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3,4-dimethyl-2-pentyl-2H-furan-5-one
SMILESCCCCCC1OC(=O)C(C)=C1C
InChIInChI=1S/C11H18O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h10H,4-7H2,1-3H3
InChIKeyLRKURLXWGJNWOJ-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-dimethyl-2-pentyl-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

Related Compounds

3-Butyl-4-methyl-furan-2(5h)-one
CID 14616858
(5E,9E,11aS)-3,6,10-Trimethyl-7,8,11,11a-tetrahydrocyclodeca[b]furan-2(4H)-one
CID 44593362
(+)-sarcophytoxin B
CID 14705435
:3n-Valeryl-4,5-dihydrophthalide
CID 91704075
Seiridin
CID 190634
(6E,11S,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
CID 21725062
4-methyl-2-tridecyl-2H-furan-5-one
CID 118708713
Pestalolide
CID 57342266
7'-Hydroxyseiridin
CID 10376475
(6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
CID 10425917
(2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one
CID 11737209
Pestalafuranone C
CID 139585320

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-pentyl-2H-furan-5-one?
The IUPAC name of 3,4-dimethyl-2-pentyl-2H-furan-5-one (CID 13192443) is 3,4-dimethyl-2-pentyl-2H-furan-5-one.
What is the SMILES notation for 3,4-dimethyl-2-pentyl-2H-furan-5-one?
The canonical SMILES for 3,4-dimethyl-2-pentyl-2H-furan-5-one is CCCCCC1OC(=O)C(C)=C1C.
What is the InChIKey of 3,4-dimethyl-2-pentyl-2H-furan-5-one?
The InChIKey is LRKURLXWGJNWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h10H,4-7H2,1-3H3.
What are the key properties of 3,4-dimethyl-2-pentyl-2H-furan-5-one?
3,4-dimethyl-2-pentyl-2H-furan-5-one has a molecular weight of 182.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-pentyl-2H-furan-5-one is sourced from PubChem (CID 13192443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).