(1E,3E,5E,7E,9E)-docosa-1,3,5,7,9-pentaen-1-ol

C22H36O — CID 22718877

IUPAC(1E,3E,5E,7E,9E)-docosa-1,3,5,7,9-pentaen-1-ol
SMILESCCCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/O
InChIInChI=1S/C22H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h13-23H,2-12H2,1H3/b14-13+,16-15+,18-17+,20-19+,22-21+
InChIKeySKOLPAOOCLOBNH-HTXRNKDDSA-N
MW316.53 g/mol
LogP7.59
Rot. Bonds15

About (1E,3E,5E,7E,9E)-docosa-1,3,5,7,9-pentaen-1-ol

(1E,3E,5E,7E,9E)-docosa-1,3,5,7,9-pentaen-1-ol (PubChem CID 22718877) has the molecular formula C22H36O and a molecular weight of 316.53 g/mol. Its IUPAC name is (1E,3E,5E,7E,9E)-docosa-1,3,5,7,9-pentaen-1-ol.

Molecular Properties

Compound Name(1E,3E,5E,7E,9E)-docosa-1,3,5,7,9-pentaen-1-ol
PubChem CID22718877
Molecular FormulaC22H36O
Molecular Weight316.53 g/mol
Exact Mass316.28
IUPAC Name(1E,3E,5E,7E,9E)-docosa-1,3,5,7,9-pentaen-1-ol
SMILESCCCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/O
InChIInChI=1S/C22H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h13-23H,2-12H2,1H3/b14-13+,16-15+,18-17+,20-19+,22-21+
InChIKeySKOLPAOOCLOBNH-HTXRNKDDSA-N
XLogP7.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E,3E,5E,7E,9E)-docosa-1,3,5,7,9-pentaen-1-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 (1E,3E,5E,7E,9E)-docosa-1,3,5,7,9-pentaen-1-ol?
The IUPAC name of (1E,3E,5E,7E,9E)-docosa-1,3,5,7,9-pentaen-1-ol (CID 22718877) is (1E,3E,5E,7E,9E)-docosa-1,3,5,7,9-pentaen-1-ol.
What is the SMILES notation for (1E,3E,5E,7E,9E)-docosa-1,3,5,7,9-pentaen-1-ol?
The canonical SMILES for (1E,3E,5E,7E,9E)-docosa-1,3,5,7,9-pentaen-1-ol is CCCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/O.
What is the InChIKey of (1E,3E,5E,7E,9E)-docosa-1,3,5,7,9-pentaen-1-ol?
The InChIKey is SKOLPAOOCLOBNH-HTXRNKDDSA-N. The full InChI is InChI=1S/C22H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h13-23H,2-12H2,1H3/b14-13+,16-15+,18-17+,20-19+,22-21+.
What are the key properties of (1E,3E,5E,7E,9E)-docosa-1,3,5,7,9-pentaen-1-ol?
(1E,3E,5E,7E,9E)-docosa-1,3,5,7,9-pentaen-1-ol has a molecular weight of 316.53 g/mol, XLogP of 7.59, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E,7E,9E)-docosa-1,3,5,7,9-pentaen-1-ol is sourced from PubChem (CID 22718877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).