2-cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one

C13H20O2 — CID 12044632

IUPAC2-cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one
SMILESCOC1=C(C2CCCC2)C(=O)CC(C)C1
InChIInChI=1S/C13H20O2/c1-9-7-11(14)13(12(8-9)15-2)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3
InChIKeyXKPBKCQKCJNLQG-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.08
Rot. Bonds2

About 2-cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one

2-cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one (PubChem CID 12044632) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one
PubChem CID12044632
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one
SMILESCOC1=C(C2CCCC2)C(=O)CC(C)C1
InChIInChI=1S/C13H20O2/c1-9-7-11(14)13(12(8-9)15-2)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3
InChIKeyXKPBKCQKCJNLQG-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one?
The IUPAC name of 2-cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one (CID 12044632) is 2-cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one.
What is the SMILES notation for 2-cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one?
The canonical SMILES for 2-cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one is COC1=C(C2CCCC2)C(=O)CC(C)C1.
What is the InChIKey of 2-cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one?
The InChIKey is XKPBKCQKCJNLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9-7-11(14)13(12(8-9)15-2)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one?
2-cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one has a molecular weight of 208.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one is sourced from PubChem (CID 12044632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).