2-methyl-4-(4-methylpentyl)-2H-furan-5-one

C11H18O2 — CID 14167434

IUPAC2-methyl-4-(4-methylpentyl)-2H-furan-5-one
SMILESCC(C)CCCC1=CC(C)OC1=O
InChIInChI=1S/C11H18O2/c1-8(2)5-4-6-10-7-9(3)13-11(10)12/h7-9H,4-6H2,1-3H3
InChIKeyPGJOVAVVHNUEAL-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds4

About 2-methyl-4-(4-methylpentyl)-2H-furan-5-one

2-methyl-4-(4-methylpentyl)-2H-furan-5-one (PubChem CID 14167434) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpentyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-methyl-4-(4-methylpentyl)-2H-furan-5-one
PubChem CID14167434
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-methyl-4-(4-methylpentyl)-2H-furan-5-one
SMILESCC(C)CCCC1=CC(C)OC1=O
InChIInChI=1S/C11H18O2/c1-8(2)5-4-6-10-7-9(3)13-11(10)12/h7-9H,4-6H2,1-3H3
InChIKeyPGJOVAVVHNUEAL-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpentyl)-2H-furan-5-one?
The IUPAC name of 2-methyl-4-(4-methylpentyl)-2H-furan-5-one (CID 14167434) is 2-methyl-4-(4-methylpentyl)-2H-furan-5-one.
What is the SMILES notation for 2-methyl-4-(4-methylpentyl)-2H-furan-5-one?
The canonical SMILES for 2-methyl-4-(4-methylpentyl)-2H-furan-5-one is CC(C)CCCC1=CC(C)OC1=O.
What is the InChIKey of 2-methyl-4-(4-methylpentyl)-2H-furan-5-one?
The InChIKey is PGJOVAVVHNUEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(2)5-4-6-10-7-9(3)13-11(10)12/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-methyl-4-(4-methylpentyl)-2H-furan-5-one?
2-methyl-4-(4-methylpentyl)-2H-furan-5-one has a molecular weight of 182.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpentyl)-2H-furan-5-one is sourced from PubChem (CID 14167434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).