3,4-dipropyl-2H-furan-5-one

C10H16O2 — CID 54556549

IUPAC3,4-dipropyl-2H-furan-5-one
SMILESCCCC1=C(CCC)C(=O)OC1
InChIInChI=1S/C10H16O2/c1-3-5-8-7-12-10(11)9(8)6-4-2/h3-7H2,1-2H3
InChIKeyZNOFKWCVKXDAMG-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds4

About 3,4-dipropyl-2H-furan-5-one

3,4-dipropyl-2H-furan-5-one (PubChem CID 54556549) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3,4-dipropyl-2H-furan-5-one.

Molecular Properties

Compound Name3,4-dipropyl-2H-furan-5-one
PubChem CID54556549
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3,4-dipropyl-2H-furan-5-one
SMILESCCCC1=C(CCC)C(=O)OC1
InChIInChI=1S/C10H16O2/c1-3-5-8-7-12-10(11)9(8)6-4-2/h3-7H2,1-2H3
InChIKeyZNOFKWCVKXDAMG-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
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
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Alpha,beta-acariolide
CID 11041080
Manshurolide
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3-Methyl-4-propyl-2,5-furandione
CID 580987
Methyl 2-propylpent-2-enoate
CID 10241045
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

Frequently Asked Questions

What is the IUPAC name of 3,4-dipropyl-2H-furan-5-one?
The IUPAC name of 3,4-dipropyl-2H-furan-5-one (CID 54556549) is 3,4-dipropyl-2H-furan-5-one.
What is the SMILES notation for 3,4-dipropyl-2H-furan-5-one?
The canonical SMILES for 3,4-dipropyl-2H-furan-5-one is CCCC1=C(CCC)C(=O)OC1.
What is the InChIKey of 3,4-dipropyl-2H-furan-5-one?
The InChIKey is ZNOFKWCVKXDAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-8-7-12-10(11)9(8)6-4-2/h3-7H2,1-2H3.
What are the key properties of 3,4-dipropyl-2H-furan-5-one?
3,4-dipropyl-2H-furan-5-one has a molecular weight of 168.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dipropyl-2H-furan-5-one is sourced from PubChem (CID 54556549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).