6-ethenyl-9,13-dihydroxytridec-10-en-5-one

C15H26O3 — CID 57121966

IUPAC6-ethenyl-9,13-dihydroxytridec-10-en-5-one
SMILESC=CC(CCC(O)C=CCCO)C(=O)CCCC
InChIInChI=1S/C15H26O3/c1-3-5-9-15(18)13(4-2)10-11-14(17)8-6-7-12-16/h4,6,8,13-14,16-17H,2-3,5,7,9-12H2,1H3
InChIKeyCZANKCHMXROVPD-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.63
Rot. Bonds11

About 6-ethenyl-9,13-dihydroxytridec-10-en-5-one

6-ethenyl-9,13-dihydroxytridec-10-en-5-one (PubChem CID 57121966) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 6-ethenyl-9,13-dihydroxytridec-10-en-5-one.

Molecular Properties

Compound Name6-ethenyl-9,13-dihydroxytridec-10-en-5-one
PubChem CID57121966
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name6-ethenyl-9,13-dihydroxytridec-10-en-5-one
SMILESC=CC(CCC(O)C=CCCO)C(=O)CCCC
InChIInChI=1S/C15H26O3/c1-3-5-9-15(18)13(4-2)10-11-14(17)8-6-7-12-16/h4,6,8,13-14,16-17H,2-3,5,7,9-12H2,1H3
InChIKeyCZANKCHMXROVPD-UHFFFAOYSA-N
XLogP2.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-ethenyl-9,13-dihydroxytridec-10-en-5-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 6-ethenyl-9,13-dihydroxytridec-10-en-5-one?
The IUPAC name of 6-ethenyl-9,13-dihydroxytridec-10-en-5-one (CID 57121966) is 6-ethenyl-9,13-dihydroxytridec-10-en-5-one.
What is the SMILES notation for 6-ethenyl-9,13-dihydroxytridec-10-en-5-one?
The canonical SMILES for 6-ethenyl-9,13-dihydroxytridec-10-en-5-one is C=CC(CCC(O)C=CCCO)C(=O)CCCC.
What is the InChIKey of 6-ethenyl-9,13-dihydroxytridec-10-en-5-one?
The InChIKey is CZANKCHMXROVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-3-5-9-15(18)13(4-2)10-11-14(17)8-6-7-12-16/h4,6,8,13-14,16-17H,2-3,5,7,9-12H2,1H3.
What are the key properties of 6-ethenyl-9,13-dihydroxytridec-10-en-5-one?
6-ethenyl-9,13-dihydroxytridec-10-en-5-one has a molecular weight of 254.37 g/mol, XLogP of 2.63, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-9,13-dihydroxytridec-10-en-5-one is sourced from PubChem (CID 57121966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).