4-methyl-2-(3-methylbut-2-enoxy)-2H-furan-5-one

C10H14O3 — CID 155519471

IUPAC4-methyl-2-(3-methylbut-2-enoxy)-2H-furan-5-one
SMILESCC(C)=CCOC1C=C(C)C(=O)O1
InChIInChI=1S/C10H14O3/c1-7(2)4-5-12-9-6-8(3)10(11)13-9/h4,6,9H,5H2,1-3H3
InChIKeyDPNUWVIUNBBMNX-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.80
Rot. Bonds3

About 4-methyl-2-(3-methylbut-2-enoxy)-2H-furan-5-one

4-methyl-2-(3-methylbut-2-enoxy)-2H-furan-5-one (PubChem CID 155519471) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-methyl-2-(3-methylbut-2-enoxy)-2H-furan-5-one.

Molecular Properties

Compound Name4-methyl-2-(3-methylbut-2-enoxy)-2H-furan-5-one
PubChem CID155519471
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name4-methyl-2-(3-methylbut-2-enoxy)-2H-furan-5-one
SMILESCC(C)=CCOC1C=C(C)C(=O)O1
InChIInChI=1S/C10H14O3/c1-7(2)4-5-12-9-6-8(3)10(11)13-9/h4,6,9H,5H2,1-3H3
InChIKeyDPNUWVIUNBBMNX-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.80
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 4-methyl-2-(3-methylbut-2-enoxy)-2H-furan-5-one?
The IUPAC name of 4-methyl-2-(3-methylbut-2-enoxy)-2H-furan-5-one (CID 155519471) is 4-methyl-2-(3-methylbut-2-enoxy)-2H-furan-5-one.
What is the SMILES notation for 4-methyl-2-(3-methylbut-2-enoxy)-2H-furan-5-one?
The canonical SMILES for 4-methyl-2-(3-methylbut-2-enoxy)-2H-furan-5-one is CC(C)=CCOC1C=C(C)C(=O)O1.
What is the InChIKey of 4-methyl-2-(3-methylbut-2-enoxy)-2H-furan-5-one?
The InChIKey is DPNUWVIUNBBMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7(2)4-5-12-9-6-8(3)10(11)13-9/h4,6,9H,5H2,1-3H3.
What are the key properties of 4-methyl-2-(3-methylbut-2-enoxy)-2H-furan-5-one?
4-methyl-2-(3-methylbut-2-enoxy)-2H-furan-5-one has a molecular weight of 182.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylbut-2-enoxy)-2H-furan-5-one is sourced from PubChem (CID 155519471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).