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

C8H12O2 — CID 139957122

IUPAC4-methyl-5-propyl-3H-furan-2-one
SMILESCCCC1=C(C)CC(=O)O1
InChIInChI=1S/C8H12O2/c1-3-4-7-6(2)5-8(9)10-7/h3-5H2,1-2H3
InChIKeyPKWWRTYKTNNWEY-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.01
Rot. Bonds2

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

4-methyl-5-propyl-3H-furan-2-one (PubChem CID 139957122) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-methyl-5-propyl-3H-furan-2-one.

Molecular Properties

Compound Name4-methyl-5-propyl-3H-furan-2-one
PubChem CID139957122
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-methyl-5-propyl-3H-furan-2-one
SMILESCCCC1=C(C)CC(=O)O1
InChIInChI=1S/C8H12O2/c1-3-4-7-6(2)5-8(9)10-7/h3-5H2,1-2H3
InChIKeyPKWWRTYKTNNWEY-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propyl-3H-furan-2-one?
The IUPAC name of 4-methyl-5-propyl-3H-furan-2-one (CID 139957122) is 4-methyl-5-propyl-3H-furan-2-one.
What is the SMILES notation for 4-methyl-5-propyl-3H-furan-2-one?
The canonical SMILES for 4-methyl-5-propyl-3H-furan-2-one is CCCC1=C(C)CC(=O)O1.
What is the InChIKey of 4-methyl-5-propyl-3H-furan-2-one?
The InChIKey is PKWWRTYKTNNWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-4-7-6(2)5-8(9)10-7/h3-5H2,1-2H3.
What are the key properties of 4-methyl-5-propyl-3H-furan-2-one?
4-methyl-5-propyl-3H-furan-2-one has a molecular weight of 140.18 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propyl-3H-furan-2-one is sourced from PubChem (CID 139957122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).