2-tridecanoylcyclopentan-1-one

C18H32O2 — CID 59066894

IUPAC2-tridecanoylcyclopentan-1-one
SMILESCCCCCCCCCCCCC(=O)C1CCCC1=O
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)16-13-12-15-18(16)20/h16H,2-15H2,1H3
InChIKeyGQMDMTSTEJELDU-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.24
Rot. Bonds12

About 2-tridecanoylcyclopentan-1-one

2-tridecanoylcyclopentan-1-one (PubChem CID 59066894) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 2-tridecanoylcyclopentan-1-one.

Molecular Properties

Compound Name2-tridecanoylcyclopentan-1-one
PubChem CID59066894
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name2-tridecanoylcyclopentan-1-one
SMILESCCCCCCCCCCCCC(=O)C1CCCC1=O
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)16-13-12-15-18(16)20/h16H,2-15H2,1H3
InChIKeyGQMDMTSTEJELDU-UHFFFAOYSA-N
XLogP5.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,6-bis(2-oxocyclohexyl)hexane-1,6-dione
CID 154092902
2-hept-1-en-2-ylcyclohexan-1-one
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3-decanoylpiperidin-2-one
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10-oxo-10-(2-oxocyclohexyl)decanal
CID 174998871
2-(1-octanoylpyrrolidin-2-yl)cyclopentan-1-one
CID 79548429
3-nonanoylazepan-2-one
CID 21226503
3-oxo-N-(2-oxocyclopentyl)dodecanamide
CID 23396790
2-(4-nitrobutanoyl)cyclohexan-1-one
CID 580354
1-cyclobutyldodecan-1-one
CID 115811550
2-decylcyclopentan-1-one
CID 12823821
1-(3-methylcyclohex-2-en-1-yl)heptan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-tridecanoylcyclopentan-1-one?
The IUPAC name of 2-tridecanoylcyclopentan-1-one (CID 59066894) is 2-tridecanoylcyclopentan-1-one.
What is the SMILES notation for 2-tridecanoylcyclopentan-1-one?
The canonical SMILES for 2-tridecanoylcyclopentan-1-one is CCCCCCCCCCCCC(=O)C1CCCC1=O.
What is the InChIKey of 2-tridecanoylcyclopentan-1-one?
The InChIKey is GQMDMTSTEJELDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)16-13-12-15-18(16)20/h16H,2-15H2,1H3.
What are the key properties of 2-tridecanoylcyclopentan-1-one?
2-tridecanoylcyclopentan-1-one has a molecular weight of 280.45 g/mol, XLogP of 5.24, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridecanoylcyclopentan-1-one is sourced from PubChem (CID 59066894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).