3-methyl-4-propyl-2H-furan-5-one

C8H12O2 — CID 12928196

IUPAC3-methyl-4-propyl-2H-furan-5-one
SMILESCCCC1=C(C)COC1=O
InChIInChI=1S/C8H12O2/c1-3-4-7-6(2)5-10-8(7)9/h3-5H2,1-2H3
InChIKeyJVHPBDUVRNWHFU-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds2

About 3-methyl-4-propyl-2H-furan-5-one

3-methyl-4-propyl-2H-furan-5-one (PubChem CID 12928196) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-methyl-4-propyl-2H-furan-5-one.

Molecular Properties

Compound Name3-methyl-4-propyl-2H-furan-5-one
PubChem CID12928196
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-methyl-4-propyl-2H-furan-5-one
SMILESCCCC1=C(C)COC1=O
InChIInChI=1S/C8H12O2/c1-3-4-7-6(2)5-10-8(7)9/h3-5H2,1-2H3
InChIKeyJVHPBDUVRNWHFU-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Geranyl valerate
CID 5365850
Neryl valerate
CID 6436375
3-Butyl-4-methyl-furan-2(5h)-one
CID 14616858
Alpha,beta-acariolide
CID 11041080
Manshurolide
CID 14527198
3-Methyl-4-propyl-2,5-furandione
CID 580987
3-butyl-2(5H)-furanone
CID 11768654
5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 126219
Ethyl 2-methylcyclopent-1-ene-1-carboxylate
CID 13416667
Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate
CID 600973
(5Z,9Z)-5,9-dimethyl-1-oxacycloundeca-5,9-dien-2-one
CID 6477517
Pestalafuranone C
CID 139585320

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propyl-2H-furan-5-one?
The IUPAC name of 3-methyl-4-propyl-2H-furan-5-one (CID 12928196) is 3-methyl-4-propyl-2H-furan-5-one.
What is the SMILES notation for 3-methyl-4-propyl-2H-furan-5-one?
The canonical SMILES for 3-methyl-4-propyl-2H-furan-5-one is CCCC1=C(C)COC1=O.
What is the InChIKey of 3-methyl-4-propyl-2H-furan-5-one?
The InChIKey is JVHPBDUVRNWHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-4-7-6(2)5-10-8(7)9/h3-5H2,1-2H3.
What are the key properties of 3-methyl-4-propyl-2H-furan-5-one?
3-methyl-4-propyl-2H-furan-5-one has a molecular weight of 140.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propyl-2H-furan-5-one is sourced from PubChem (CID 12928196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).