(3Z,6S,7E,9Z,12Z,15Z,17E)-18-(5-methylideneoxolan-2-yl)octadeca-3,7,9,12,15,17-hexaen-6-ol

C23H32O2 — CID 59372872

IUPAC(3Z,6S,7E,9Z,12Z,15Z,17E)-18-(5-methylideneoxolan-2-yl)octadeca-3,7,9,12,15,17-hexaen-6-ol
SMILESC=C1CCC(/C=C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CC)O1
InChIInChI=1S/C23H32O2/c1-3-4-13-16-22(24)17-14-11-9-7-5-6-8-10-12-15-18-23-20-19-21(2)25-23/h4-6,9-15,17-18,22-24H,2-3,7-8,16,19-20H2,1H3/b6-5-,11-9-,12-10-,13-4-,17-14+,18-15+/t22-,23?/m0/s1
InChIKeyBJWCLIHXTSSMFV-BEMVWSKZSA-N
MW340.51 g/mol
LogP5.96
Rot. Bonds11

About (3Z,6S,7E,9Z,12Z,15Z,17E)-18-(5-methylideneoxolan-2-yl)octadeca-3,7,9,12,15,17-hexaen-6-ol

(3Z,6S,7E,9Z,12Z,15Z,17E)-18-(5-methylideneoxolan-2-yl)octadeca-3,7,9,12,15,17-hexaen-6-ol (PubChem CID 59372872) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is (3Z,6S,7E,9Z,12Z,15Z,17E)-18-(5-methylideneoxolan-2-yl)octadeca-3,7,9,12,15,17-hexaen-6-ol.

Molecular Properties

Compound Name(3Z,6S,7E,9Z,12Z,15Z,17E)-18-(5-methylideneoxolan-2-yl)octadeca-3,7,9,12,15,17-hexaen-6-ol
PubChem CID59372872
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name(3Z,6S,7E,9Z,12Z,15Z,17E)-18-(5-methylideneoxolan-2-yl)octadeca-3,7,9,12,15,17-hexaen-6-ol
SMILESC=C1CCC(/C=C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CC)O1
InChIInChI=1S/C23H32O2/c1-3-4-13-16-22(24)17-14-11-9-7-5-6-8-10-12-15-18-23-20-19-21(2)25-23/h4-6,9-15,17-18,22-24H,2-3,7-8,16,19-20H2,1H3/b6-5-,11-9-,12-10-,13-4-,17-14+,18-15+/t22-,23?/m0/s1
InChIKeyBJWCLIHXTSSMFV-BEMVWSKZSA-N
XLogP5.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,6S,7E,9Z,12Z,15Z,17E)-18-(5-methylideneoxolan-2-yl)octadeca-3,7,9,12,15,17-hexaen-6-ol 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 (3Z,6S,7E,9Z,12Z,15Z,17E)-18-(5-methylideneoxolan-2-yl)octadeca-3,7,9,12,15,17-hexaen-6-ol?
The IUPAC name of (3Z,6S,7E,9Z,12Z,15Z,17E)-18-(5-methylideneoxolan-2-yl)octadeca-3,7,9,12,15,17-hexaen-6-ol (CID 59372872) is (3Z,6S,7E,9Z,12Z,15Z,17E)-18-(5-methylideneoxolan-2-yl)octadeca-3,7,9,12,15,17-hexaen-6-ol.
What is the SMILES notation for (3Z,6S,7E,9Z,12Z,15Z,17E)-18-(5-methylideneoxolan-2-yl)octadeca-3,7,9,12,15,17-hexaen-6-ol?
The canonical SMILES for (3Z,6S,7E,9Z,12Z,15Z,17E)-18-(5-methylideneoxolan-2-yl)octadeca-3,7,9,12,15,17-hexaen-6-ol is C=C1CCC(/C=C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CC)O1.
What is the InChIKey of (3Z,6S,7E,9Z,12Z,15Z,17E)-18-(5-methylideneoxolan-2-yl)octadeca-3,7,9,12,15,17-hexaen-6-ol?
The InChIKey is BJWCLIHXTSSMFV-BEMVWSKZSA-N. The full InChI is InChI=1S/C23H32O2/c1-3-4-13-16-22(24)17-14-11-9-7-5-6-8-10-12-15-18-23-20-19-21(2)25-23/h4-6,9-15,17-18,22-24H,2-3,7-8,16,19-20H2,1H3/b6-5-,11-9-,12-10-,13-4-,17-14+,18-15+/t22-,23?/m0/s1.
What are the key properties of (3Z,6S,7E,9Z,12Z,15Z,17E)-18-(5-methylideneoxolan-2-yl)octadeca-3,7,9,12,15,17-hexaen-6-ol?
(3Z,6S,7E,9Z,12Z,15Z,17E)-18-(5-methylideneoxolan-2-yl)octadeca-3,7,9,12,15,17-hexaen-6-ol has a molecular weight of 340.51 g/mol, XLogP of 5.96, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6S,7E,9Z,12Z,15Z,17E)-18-(5-methylideneoxolan-2-yl)octadeca-3,7,9,12,15,17-hexaen-6-ol is sourced from PubChem (CID 59372872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).