4-(1-hydroxy-2-methylbutyl)-3-methyl-2H-furan-5-one

C10H16O3 — CID 10081079

IUPAC4-(1-hydroxy-2-methylbutyl)-3-methyl-2H-furan-5-one
SMILESCCC(C)C(O)C1=C(C)COC1=O
InChIInChI=1S/C10H16O3/c1-4-6(2)9(11)8-7(3)5-13-10(8)12/h6,9,11H,4-5H2,1-3H3
InChIKeyZXYIUEGERMMVDN-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.27
Rot. Bonds3

About 4-(1-hydroxy-2-methylbutyl)-3-methyl-2H-furan-5-one

4-(1-hydroxy-2-methylbutyl)-3-methyl-2H-furan-5-one (PubChem CID 10081079) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methylbutyl)-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name4-(1-hydroxy-2-methylbutyl)-3-methyl-2H-furan-5-one
PubChem CID10081079
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-(1-hydroxy-2-methylbutyl)-3-methyl-2H-furan-5-one
SMILESCCC(C)C(O)C1=C(C)COC1=O
InChIInChI=1S/C10H16O3/c1-4-6(2)9(11)8-7(3)5-13-10(8)12/h6,9,11H,4-5H2,1-3H3
InChIKeyZXYIUEGERMMVDN-UHFFFAOYSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-methylbutyl)-3-methyl-2H-furan-5-one?
The IUPAC name of 4-(1-hydroxy-2-methylbutyl)-3-methyl-2H-furan-5-one (CID 10081079) is 4-(1-hydroxy-2-methylbutyl)-3-methyl-2H-furan-5-one.
What is the SMILES notation for 4-(1-hydroxy-2-methylbutyl)-3-methyl-2H-furan-5-one?
The canonical SMILES for 4-(1-hydroxy-2-methylbutyl)-3-methyl-2H-furan-5-one is CCC(C)C(O)C1=C(C)COC1=O.
What is the InChIKey of 4-(1-hydroxy-2-methylbutyl)-3-methyl-2H-furan-5-one?
The InChIKey is ZXYIUEGERMMVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-6(2)9(11)8-7(3)5-13-10(8)12/h6,9,11H,4-5H2,1-3H3.
What are the key properties of 4-(1-hydroxy-2-methylbutyl)-3-methyl-2H-furan-5-one?
4-(1-hydroxy-2-methylbutyl)-3-methyl-2H-furan-5-one has a molecular weight of 184.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methylbutyl)-3-methyl-2H-furan-5-one is sourced from PubChem (CID 10081079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).