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

C8H12O2 — CID 11062471

IUPAC4-methyl-2-propyl-2H-furan-5-one
SMILESCCCC1C=C(C)C(=O)O1
InChIInChI=1S/C8H12O2/c1-3-4-7-5-6(2)8(9)10-7/h5,7H,3-4H2,1-2H3
InChIKeyZRFXWQZTKYPDGH-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds2

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

4-methyl-2-propyl-2H-furan-5-one (PubChem CID 11062471) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-methyl-2-propyl-2H-furan-5-one.

Molecular Properties

Compound Name4-methyl-2-propyl-2H-furan-5-one
PubChem CID11062471
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-methyl-2-propyl-2H-furan-5-one
SMILESCCCC1C=C(C)C(=O)O1
InChIInChI=1S/C8H12O2/c1-3-4-7-5-6(2)8(9)10-7/h5,7H,3-4H2,1-2H3
InChIKeyZRFXWQZTKYPDGH-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propyl-2H-furan-5-one?
The IUPAC name of 4-methyl-2-propyl-2H-furan-5-one (CID 11062471) is 4-methyl-2-propyl-2H-furan-5-one.
What is the SMILES notation for 4-methyl-2-propyl-2H-furan-5-one?
The canonical SMILES for 4-methyl-2-propyl-2H-furan-5-one is CCCC1C=C(C)C(=O)O1.
What is the InChIKey of 4-methyl-2-propyl-2H-furan-5-one?
The InChIKey is ZRFXWQZTKYPDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-4-7-5-6(2)8(9)10-7/h5,7H,3-4H2,1-2H3.
What are the key properties of 4-methyl-2-propyl-2H-furan-5-one?
4-methyl-2-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 4-methyl-2-propyl-2H-furan-5-one is sourced from PubChem (CID 11062471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).