3-(3,4-dimethylpent-3-enoxy)-2H-furan-5-one

C11H16O3 — CID 11194922

IUPAC3-(3,4-dimethylpent-3-enoxy)-2H-furan-5-one
SMILESCC(C)=C(C)CCOC1=CC(=O)OC1
InChIInChI=1S/C11H16O3/c1-8(2)9(3)4-5-13-10-6-11(12)14-7-10/h6H,4-5,7H2,1-3H3
InChIKeyVEMMSVDLHLYUQQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.19
Rot. Bonds4

About 3-(3,4-dimethylpent-3-enoxy)-2H-furan-5-one

3-(3,4-dimethylpent-3-enoxy)-2H-furan-5-one (PubChem CID 11194922) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(3,4-dimethylpent-3-enoxy)-2H-furan-5-one.

Molecular Properties

Compound Name3-(3,4-dimethylpent-3-enoxy)-2H-furan-5-one
PubChem CID11194922
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name3-(3,4-dimethylpent-3-enoxy)-2H-furan-5-one
SMILESCC(C)=C(C)CCOC1=CC(=O)OC1
InChIInChI=1S/C11H16O3/c1-8(2)9(3)4-5-13-10-6-11(12)14-7-10/h6H,4-5,7H2,1-3H3
InChIKeyVEMMSVDLHLYUQQ-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
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 3-(3,4-dimethylpent-3-enoxy)-2H-furan-5-one?
The IUPAC name of 3-(3,4-dimethylpent-3-enoxy)-2H-furan-5-one (CID 11194922) is 3-(3,4-dimethylpent-3-enoxy)-2H-furan-5-one.
What is the SMILES notation for 3-(3,4-dimethylpent-3-enoxy)-2H-furan-5-one?
The canonical SMILES for 3-(3,4-dimethylpent-3-enoxy)-2H-furan-5-one is CC(C)=C(C)CCOC1=CC(=O)OC1.
What is the InChIKey of 3-(3,4-dimethylpent-3-enoxy)-2H-furan-5-one?
The InChIKey is VEMMSVDLHLYUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8(2)9(3)4-5-13-10-6-11(12)14-7-10/h6H,4-5,7H2,1-3H3.
What are the key properties of 3-(3,4-dimethylpent-3-enoxy)-2H-furan-5-one?
3-(3,4-dimethylpent-3-enoxy)-2H-furan-5-one has a molecular weight of 196.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpent-3-enoxy)-2H-furan-5-one is sourced from PubChem (CID 11194922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).