2-(2-methylpropyl)-2H-furan-5-one

C8H12O2 — CID 15563570

IUPAC2-(2-methylpropyl)-2H-furan-5-one
SMILESCC(C)CC1C=CC(=O)O1
InChIInChI=1S/C8H12O2/c1-6(2)5-7-3-4-8(9)10-7/h3-4,6-7H,5H2,1-2H3
InChIKeyFAILPJXTNDGLGU-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.51
Rot. Bonds2

About 2-(2-methylpropyl)-2H-furan-5-one

2-(2-methylpropyl)-2H-furan-5-one (PubChem CID 15563570) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(2-methylpropyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-2H-furan-5-one
PubChem CID15563570
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(2-methylpropyl)-2H-furan-5-one
SMILESCC(C)CC1C=CC(=O)O1
InChIInChI=1S/C8H12O2/c1-6(2)5-7-3-4-8(9)10-7/h3-4,6-7H,5H2,1-2H3
InChIKeyFAILPJXTNDGLGU-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-2H-furan-5-one?
The IUPAC name of 2-(2-methylpropyl)-2H-furan-5-one (CID 15563570) is 2-(2-methylpropyl)-2H-furan-5-one.
What is the SMILES notation for 2-(2-methylpropyl)-2H-furan-5-one?
The canonical SMILES for 2-(2-methylpropyl)-2H-furan-5-one is CC(C)CC1C=CC(=O)O1.
What is the InChIKey of 2-(2-methylpropyl)-2H-furan-5-one?
The InChIKey is FAILPJXTNDGLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(2)5-7-3-4-8(9)10-7/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-2H-furan-5-one?
2-(2-methylpropyl)-2H-furan-5-one has a molecular weight of 140.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-2H-furan-5-one is sourced from PubChem (CID 15563570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).