2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one

C13H18O2 — CID 86092713

IUPAC2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one
SMILESCC(=O)C1(C2C=CCCC2)CCCC1=O
InChIInChI=1S/C13H18O2/c1-10(14)13(9-5-8-12(13)15)11-6-3-2-4-7-11/h3,6,11H,2,4-5,7-9H2,1H3
InChIKeyCDSFNRHJYKIWGK-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.67
Rot. Bonds2

About 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one

2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one (PubChem CID 86092713) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one.

Molecular Properties

Compound Name2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one
PubChem CID86092713
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one
SMILESCC(=O)C1(C2C=CCCC2)CCCC1=O
InChIInChI=1S/C13H18O2/c1-10(14)13(9-5-8-12(13)15)11-6-3-2-4-7-11/h3,6,11H,2,4-5,7-9H2,1H3
InChIKeyCDSFNRHJYKIWGK-UHFFFAOYSA-N
XLogP2.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one?
The IUPAC name of 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one (CID 86092713) is 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one.
What is the SMILES notation for 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one?
The canonical SMILES for 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one is CC(=O)C1(C2C=CCCC2)CCCC1=O.
What is the InChIKey of 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one?
The InChIKey is CDSFNRHJYKIWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(14)13(9-5-8-12(13)15)11-6-3-2-4-7-11/h3,6,11H,2,4-5,7-9H2,1H3.
What are the key properties of 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one?
2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one has a molecular weight of 206.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one is sourced from PubChem (CID 86092713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).