2-hydroxy-3-(4-methylpent-3-enyl)-2H-furan-5-one

C10H14O3 — CID 11116682

IUPAC2-hydroxy-3-(4-methylpent-3-enyl)-2H-furan-5-one
SMILESCC(C)=CCCC1=CC(=O)OC1O
InChIInChI=1S/C10H14O3/c1-7(2)4-3-5-8-6-9(11)13-10(8)12/h4,6,10,12H,3,5H2,1-2H3
InChIKeyZZESVQDUWCDFBM-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.53
Rot. Bonds3

About 2-hydroxy-3-(4-methylpent-3-enyl)-2H-furan-5-one

2-hydroxy-3-(4-methylpent-3-enyl)-2H-furan-5-one (PubChem CID 11116682) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-hydroxy-3-(4-methylpent-3-enyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-3-(4-methylpent-3-enyl)-2H-furan-5-one
PubChem CID11116682
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-hydroxy-3-(4-methylpent-3-enyl)-2H-furan-5-one
SMILESCC(C)=CCCC1=CC(=O)OC1O
InChIInChI=1S/C10H14O3/c1-7(2)4-3-5-8-6-9(11)13-10(8)12/h4,6,10,12H,3,5H2,1-2H3
InChIKeyZZESVQDUWCDFBM-UHFFFAOYSA-N
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(4-methylpent-3-enyl)-2H-furan-5-one?
The IUPAC name of 2-hydroxy-3-(4-methylpent-3-enyl)-2H-furan-5-one (CID 11116682) is 2-hydroxy-3-(4-methylpent-3-enyl)-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-3-(4-methylpent-3-enyl)-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-3-(4-methylpent-3-enyl)-2H-furan-5-one is CC(C)=CCCC1=CC(=O)OC1O.
What is the InChIKey of 2-hydroxy-3-(4-methylpent-3-enyl)-2H-furan-5-one?
The InChIKey is ZZESVQDUWCDFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7(2)4-3-5-8-6-9(11)13-10(8)12/h4,6,10,12H,3,5H2,1-2H3.
What are the key properties of 2-hydroxy-3-(4-methylpent-3-enyl)-2H-furan-5-one?
2-hydroxy-3-(4-methylpent-3-enyl)-2H-furan-5-one has a molecular weight of 182.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(4-methylpent-3-enyl)-2H-furan-5-one is sourced from PubChem (CID 11116682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).