hexacos-17-en-1-ol

C26H52O — CID 139697197

IUPAChexacos-17-en-1-ol
SMILESCCCCCCCCC=CCCCCCCCCCCCCCCCCO
InChIInChI=1S/C26H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h9-10,27H,2-8,11-26H2,1H3
InChIKeyDFNQCZDVZWHKRN-UHFFFAOYSA-N
MW380.70 g/mol
LogP9.14
Rot. Bonds23

About hexacos-17-en-1-ol

hexacos-17-en-1-ol (PubChem CID 139697197) has the molecular formula C26H52O and a molecular weight of 380.70 g/mol. Its IUPAC name is hexacos-17-en-1-ol.

Molecular Properties

Compound Namehexacos-17-en-1-ol
PubChem CID139697197
Molecular FormulaC26H52O
Molecular Weight380.70 g/mol
Exact Mass380.40
IUPAC Namehexacos-17-en-1-ol
SMILESCCCCCCCCC=CCCCCCCCCCCCCCCCCO
InChIInChI=1S/C26H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h9-10,27H,2-8,11-26H2,1H3
InChIKeyDFNQCZDVZWHKRN-UHFFFAOYSA-N
XLogP9.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.70
LogP ≤ 59.14
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 hexacos-17-en-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

(E)-heptadec-5-en-1-ol
CID 170849266
(E)-heptadec-7-en-1-ol
CID 19790013
(5Z,11Z)-icosa-5,11-dien-1-ol
CID 51353972
henicos-10-en-1-ol
CID 86069169
(Z)-octadec-7-en-1-ol
CID 13338918
(E)-henicos-12-en-1-ol
CID 19702453
(Z)-triacont-9-en-1-ol
CID 170943144
octadec-9-en-1-ol
CID 8927
(E)-docos-9-en-1-ol
CID 23502502
(Z)-icos-9-en-1-ol;hydrate
CID 174442786
azane;(Z)-octadec-9-en-1-ol
CID 166664850
ethanol;octadec-9-en-1-ol
CID 173109565

Frequently Asked Questions

What is the IUPAC name of hexacos-17-en-1-ol?
The IUPAC name of hexacos-17-en-1-ol (CID 139697197) is hexacos-17-en-1-ol.
What is the SMILES notation for hexacos-17-en-1-ol?
The canonical SMILES for hexacos-17-en-1-ol is CCCCCCCCC=CCCCCCCCCCCCCCCCCO.
What is the InChIKey of hexacos-17-en-1-ol?
The InChIKey is DFNQCZDVZWHKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h9-10,27H,2-8,11-26H2,1H3.
What are the key properties of hexacos-17-en-1-ol?
hexacos-17-en-1-ol has a molecular weight of 380.70 g/mol, XLogP of 9.14, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexacos-17-en-1-ol is sourced from PubChem (CID 139697197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).