3-ethylcyclopentadec-5-en-1-one

C17H30O — CID 172791519

IUPAC3-ethylcyclopentadec-5-en-1-one
SMILESCCC1CC=CCCCCCCCCCC(=O)C1
InChIInChI=1S/C17H30O/c1-2-16-13-11-9-7-5-3-4-6-8-10-12-14-17(18)15-16/h9,11,16H,2-8,10,12-15H2,1H3
InChIKeyPQCDDWHWUAROTF-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.44
Rot. Bonds1

About 3-ethylcyclopentadec-5-en-1-one

3-ethylcyclopentadec-5-en-1-one (PubChem CID 172791519) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 3-ethylcyclopentadec-5-en-1-one.

Molecular Properties

Compound Name3-ethylcyclopentadec-5-en-1-one
PubChem CID172791519
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name3-ethylcyclopentadec-5-en-1-one
SMILESCCC1CC=CCCCCCCCCCC(=O)C1
InChIInChI=1S/C17H30O/c1-2-16-13-11-9-7-5-3-4-6-8-10-12-14-17(18)15-16/h9,11,16H,2-8,10,12-15H2,1H3
InChIKeyPQCDDWHWUAROTF-UHFFFAOYSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethylcyclopentadec-5-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethylcyclopentadec-5-en-1-one?
The IUPAC name of 3-ethylcyclopentadec-5-en-1-one (CID 172791519) is 3-ethylcyclopentadec-5-en-1-one.
What is the SMILES notation for 3-ethylcyclopentadec-5-en-1-one?
The canonical SMILES for 3-ethylcyclopentadec-5-en-1-one is CCC1CC=CCCCCCCCCCC(=O)C1.
What is the InChIKey of 3-ethylcyclopentadec-5-en-1-one?
The InChIKey is PQCDDWHWUAROTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-2-16-13-11-9-7-5-3-4-6-8-10-12-14-17(18)15-16/h9,11,16H,2-8,10,12-15H2,1H3.
What are the key properties of 3-ethylcyclopentadec-5-en-1-one?
3-ethylcyclopentadec-5-en-1-one has a molecular weight of 250.43 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylcyclopentadec-5-en-1-one is sourced from PubChem (CID 172791519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).