henicosa-6,9,12,15,18-pentaen-1-ol

C21H34O — CID 90716675

IUPAChenicosa-6,9,12,15,18-pentaen-1-ol
SMILESCCC=CCC=CCC=CCC=CCC=CCCCCCO
InChIInChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h3-4,6-7,9-10,12-13,15-16,22H,2,5,8,11,14,17-21H2,1H3
InChIKeyYWIBGUCQPZMRPQ-UHFFFAOYSA-N
MW302.50 g/mol
LogP6.29
Rot. Bonds14

About henicosa-6,9,12,15,18-pentaen-1-ol

henicosa-6,9,12,15,18-pentaen-1-ol (PubChem CID 90716675) has the molecular formula C21H34O and a molecular weight of 302.50 g/mol. Its IUPAC name is henicosa-6,9,12,15,18-pentaen-1-ol.

Molecular Properties

Compound Namehenicosa-6,9,12,15,18-pentaen-1-ol
PubChem CID90716675
Molecular FormulaC21H34O
Molecular Weight302.50 g/mol
Exact Mass302.26
IUPAC Namehenicosa-6,9,12,15,18-pentaen-1-ol
SMILESCCC=CCC=CCC=CCC=CCC=CCCCCCO
InChIInChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h3-4,6-7,9-10,12-13,15-16,22H,2,5,8,11,14,17-21H2,1H3
InChIKeyYWIBGUCQPZMRPQ-UHFFFAOYSA-N
XLogP6.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.50
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze henicosa-6,9,12,15,18-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

Related Compounds

(9E,12E,15E)-octadeca-9,12,15-trien-1-ol
CID 5367327
tetradeca-5,8,11-trien-1-ol
CID 165176373
(Z)-hexadec-13-en-1-ol
CID 6431331
hexacos-23-en-1-ol
CID 74976819
tridec-10-en-1-ol
CID 53427401
(E)-undec-8-en-1-ol
CID 6366560
(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol
CID 167993921
(3Z,6Z,9Z,12Z,15Z,18Z)-28-bromooctacosa-3,6,9,12,15,18-hexaene;(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaen-1-ol
CID 160855326
pentadeca-6,9-dien-1-ol
CID 548865
(7Z,10Z)-hexadeca-7,10-dien-1-ol
CID 129115258
(14Z,17Z,20Z,23Z,26Z,29Z)-3,3-dideuteriodotriaconta-14,17,20,23,26,29-hexaen-1-ol
CID 162744110
(14Z)-icosa-5,8,11,14-tetraen-1-ol
CID 175206596

Frequently Asked Questions

What is the IUPAC name of henicosa-6,9,12,15,18-pentaen-1-ol?
The IUPAC name of henicosa-6,9,12,15,18-pentaen-1-ol (CID 90716675) is henicosa-6,9,12,15,18-pentaen-1-ol.
What is the SMILES notation for henicosa-6,9,12,15,18-pentaen-1-ol?
The canonical SMILES for henicosa-6,9,12,15,18-pentaen-1-ol is CCC=CCC=CCC=CCC=CCC=CCCCCCO.
What is the InChIKey of henicosa-6,9,12,15,18-pentaen-1-ol?
The InChIKey is YWIBGUCQPZMRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h3-4,6-7,9-10,12-13,15-16,22H,2,5,8,11,14,17-21H2,1H3.
What are the key properties of henicosa-6,9,12,15,18-pentaen-1-ol?
henicosa-6,9,12,15,18-pentaen-1-ol has a molecular weight of 302.50 g/mol, XLogP of 6.29, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for henicosa-6,9,12,15,18-pentaen-1-ol is sourced from PubChem (CID 90716675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).