5-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one

C10H16O2 — CID 14657371

IUPAC5-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one
SMILESCC(C)COC1=CC(=O)C(C)C1
InChIInChI=1S/C10H16O2/c1-7(2)6-12-9-4-8(3)10(11)5-9/h5,7-8H,4,6H2,1-3H3
InChIKeyFZSKIOXQLHOWCI-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds3

About 5-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one

5-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one (PubChem CID 14657371) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one.

Molecular Properties

Compound Name5-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one
PubChem CID14657371
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one
SMILESCC(C)COC1=CC(=O)C(C)C1
InChIInChI=1S/C10H16O2/c1-7(2)6-12-9-4-8(3)10(11)5-9/h5,7-8H,4,6H2,1-3H3
InChIKeyFZSKIOXQLHOWCI-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one?
The IUPAC name of 5-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one (CID 14657371) is 5-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one.
What is the SMILES notation for 5-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one?
The canonical SMILES for 5-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one is CC(C)COC1=CC(=O)C(C)C1.
What is the InChIKey of 5-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one?
The InChIKey is FZSKIOXQLHOWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)6-12-9-4-8(3)10(11)5-9/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 5-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one?
5-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one is sourced from PubChem (CID 14657371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).