2-butyl-3-methyl-2H-furan-5-one

C9H14O2 — CID 11789425

IUPAC2-butyl-3-methyl-2H-furan-5-one
SMILESCCCCC1OC(=O)C=C1C
InChIInChI=1S/C9H14O2/c1-3-4-5-8-7(2)6-9(10)11-8/h6,8H,3-5H2,1-2H3
InChIKeyRWXYSLDKSARYFF-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds3

About 2-butyl-3-methyl-2H-furan-5-one

2-butyl-3-methyl-2H-furan-5-one (PubChem CID 11789425) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-butyl-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-butyl-3-methyl-2H-furan-5-one
PubChem CID11789425
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-butyl-3-methyl-2H-furan-5-one
SMILESCCCCC1OC(=O)C=C1C
InChIInChI=1S/C9H14O2/c1-3-4-5-8-7(2)6-9(10)11-8/h6,8H,3-5H2,1-2H3
InChIKeyRWXYSLDKSARYFF-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Nonenoic acid gamma-lactone
CID 89559
5-hexylfuran-2(5H)-one
CID 102833
Alpha,beta-acariolide
CID 11041080
5-Octyl-2(5H)-furanone
CID 86623
Ethyl cyclopentylideneacetate
CID 74699
2-Cyclohexen-1-ol, 3-methyl-, acetate
CID 3018590
3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2H-furan-5-one
CID 10090584
[(6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-4-yl] acetate
CID 10730218
Manshurolide
CID 14527198
(5E,9E,11aS)-3,6,10-Trimethyl-7,8,11,11a-tetrahydrocyclodeca[b]furan-2(4H)-one
CID 44593362
5-Butylfuran-2(5H)-one
CID 121779
Dihydrobovolide, (+-)-
CID 13192443

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methyl-2H-furan-5-one?
The IUPAC name of 2-butyl-3-methyl-2H-furan-5-one (CID 11789425) is 2-butyl-3-methyl-2H-furan-5-one.
What is the SMILES notation for 2-butyl-3-methyl-2H-furan-5-one?
The canonical SMILES for 2-butyl-3-methyl-2H-furan-5-one is CCCCC1OC(=O)C=C1C.
What is the InChIKey of 2-butyl-3-methyl-2H-furan-5-one?
The InChIKey is RWXYSLDKSARYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-5-8-7(2)6-9(10)11-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-butyl-3-methyl-2H-furan-5-one?
2-butyl-3-methyl-2H-furan-5-one has a molecular weight of 154.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methyl-2H-furan-5-one is sourced from PubChem (CID 11789425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).