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

C10H16O2 — CID 11768957

IUPAC2-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one
SMILESCC1=C(OCC(C)C)CCC1=O
InChIInChI=1S/C10H16O2/c1-7(2)6-12-10-5-4-9(11)8(10)3/h7H,4-6H2,1-3H3
InChIKeyWAJVILZZEMDMRQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds3

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

2-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one (PubChem CID 11768957) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one
PubChem CID11768957
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one
SMILESCC1=C(OCC(C)C)CCC1=O
InChIInChI=1S/C10H16O2/c1-7(2)6-12-10-5-4-9(11)8(10)3/h7H,4-6H2,1-3H3
InChIKeyWAJVILZZEMDMRQ-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one?
The IUPAC name of 2-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one (CID 11768957) is 2-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one.
What is the SMILES notation for 2-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one?
The canonical SMILES for 2-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one is CC1=C(OCC(C)C)CCC1=O.
What is the InChIKey of 2-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one?
The InChIKey is WAJVILZZEMDMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)6-12-10-5-4-9(11)8(10)3/h7H,4-6H2,1-3H3.
What are the key properties of 2-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one?
2-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpropoxy)cyclopent-2-en-1-one is sourced from PubChem (CID 11768957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).