3-(4-methylpent-3-enoxy)cyclopent-2-en-1-one

C11H16O2 — CID 25223137

IUPAC3-(4-methylpent-3-enoxy)cyclopent-2-en-1-one
SMILESCC(C)=CCCOC1=CC(=O)CC1
InChIInChI=1S/C11H16O2/c1-9(2)4-3-7-13-11-6-5-10(12)8-11/h4,8H,3,5-7H2,1-2H3
InChIKeyWIDYBLPWUCHKGL-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.61
Rot. Bonds4

About 3-(4-methylpent-3-enoxy)cyclopent-2-en-1-one

3-(4-methylpent-3-enoxy)cyclopent-2-en-1-one (PubChem CID 25223137) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(4-methylpent-3-enoxy)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(4-methylpent-3-enoxy)cyclopent-2-en-1-one
PubChem CID25223137
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-(4-methylpent-3-enoxy)cyclopent-2-en-1-one
SMILESCC(C)=CCCOC1=CC(=O)CC1
InChIInChI=1S/C11H16O2/c1-9(2)4-3-7-13-11-6-5-10(12)8-11/h4,8H,3,5-7H2,1-2H3
InChIKeyWIDYBLPWUCHKGL-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpent-3-enoxy)cyclopent-2-en-1-one?
The IUPAC name of 3-(4-methylpent-3-enoxy)cyclopent-2-en-1-one (CID 25223137) is 3-(4-methylpent-3-enoxy)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(4-methylpent-3-enoxy)cyclopent-2-en-1-one?
The canonical SMILES for 3-(4-methylpent-3-enoxy)cyclopent-2-en-1-one is CC(C)=CCCOC1=CC(=O)CC1.
What is the InChIKey of 3-(4-methylpent-3-enoxy)cyclopent-2-en-1-one?
The InChIKey is WIDYBLPWUCHKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-9(2)4-3-7-13-11-6-5-10(12)8-11/h4,8H,3,5-7H2,1-2H3.
What are the key properties of 3-(4-methylpent-3-enoxy)cyclopent-2-en-1-one?
3-(4-methylpent-3-enoxy)cyclopent-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpent-3-enoxy)cyclopent-2-en-1-one is sourced from PubChem (CID 25223137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).