3-(3-methylpentan-2-yl)cyclopent-2-en-1-one

C11H18O — CID 130689941

IUPAC3-(3-methylpentan-2-yl)cyclopent-2-en-1-one
SMILESCCC(C)C(C)C1=CC(=O)CC1
InChIInChI=1S/C11H18O/c1-4-8(2)9(3)10-5-6-11(12)7-10/h7-9H,4-6H2,1-3H3
InChIKeyFGPFZUURNGSNJT-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.96
Rot. Bonds3

About 3-(3-methylpentan-2-yl)cyclopent-2-en-1-one

3-(3-methylpentan-2-yl)cyclopent-2-en-1-one (PubChem CID 130689941) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3-(3-methylpentan-2-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(3-methylpentan-2-yl)cyclopent-2-en-1-one
PubChem CID130689941
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3-(3-methylpentan-2-yl)cyclopent-2-en-1-one
SMILESCCC(C)C(C)C1=CC(=O)CC1
InChIInChI=1S/C11H18O/c1-4-8(2)9(3)10-5-6-11(12)7-10/h7-9H,4-6H2,1-3H3
InChIKeyFGPFZUURNGSNJT-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-2-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(3-methylpentan-2-yl)cyclopent-2-en-1-one (CID 130689941) is 3-(3-methylpentan-2-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(3-methylpentan-2-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(3-methylpentan-2-yl)cyclopent-2-en-1-one is CCC(C)C(C)C1=CC(=O)CC1.
What is the InChIKey of 3-(3-methylpentan-2-yl)cyclopent-2-en-1-one?
The InChIKey is FGPFZUURNGSNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-8(2)9(3)10-5-6-11(12)7-10/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-(3-methylpentan-2-yl)cyclopent-2-en-1-one?
3-(3-methylpentan-2-yl)cyclopent-2-en-1-one has a molecular weight of 166.26 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentan-2-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 130689941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).