1-(3-ethylcyclopentyl)tridecan-1-one

C20H38O — CID 65406595

IUPAC1-(3-ethylcyclopentyl)tridecan-1-one
SMILESCCCCCCCCCCCCC(=O)C1CCC(CC)C1
InChIInChI=1S/C20H38O/c1-3-5-6-7-8-9-10-11-12-13-14-20(21)19-16-15-18(4-2)17-19/h18-19H,3-17H2,1-2H3
InChIKeyOPQBWURLMSHQKX-UHFFFAOYSA-N
MW294.52 g/mol
LogP6.69
Rot. Bonds13

About 1-(3-ethylcyclopentyl)tridecan-1-one

1-(3-ethylcyclopentyl)tridecan-1-one (PubChem CID 65406595) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)tridecan-1-one.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)tridecan-1-one
PubChem CID65406595
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name1-(3-ethylcyclopentyl)tridecan-1-one
SMILESCCCCCCCCCCCCC(=O)C1CCC(CC)C1
InChIInChI=1S/C20H38O/c1-3-5-6-7-8-9-10-11-12-13-14-20(21)19-16-15-18(4-2)17-19/h18-19H,3-17H2,1-2H3
InChIKeyOPQBWURLMSHQKX-UHFFFAOYSA-N
XLogP6.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)tridecan-1-one?
The IUPAC name of 1-(3-ethylcyclopentyl)tridecan-1-one (CID 65406595) is 1-(3-ethylcyclopentyl)tridecan-1-one.
What is the SMILES notation for 1-(3-ethylcyclopentyl)tridecan-1-one?
The canonical SMILES for 1-(3-ethylcyclopentyl)tridecan-1-one is CCCCCCCCCCCCC(=O)C1CCC(CC)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)tridecan-1-one?
The InChIKey is OPQBWURLMSHQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-3-5-6-7-8-9-10-11-12-13-14-20(21)19-16-15-18(4-2)17-19/h18-19H,3-17H2,1-2H3.
What are the key properties of 1-(3-ethylcyclopentyl)tridecan-1-one?
1-(3-ethylcyclopentyl)tridecan-1-one has a molecular weight of 294.52 g/mol, XLogP of 6.69, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)tridecan-1-one is sourced from PubChem (CID 65406595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).