Structural Complex
Chemical ID: O8N
IUPAC Name: octacosan-1-ol
Formal Charge: 0
Type: NON-POLYMER
Physiochemical Descriptor:
Formula: C28 H58 O
Molecular weight: 410.760
Hydrogen Bond Acceptor: 1
Hydrogen Bond Donor: 1
Rotatable Bonds: 28
Heavy Atoms: 29
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.6 octacosan-1-ol
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.03 InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3
InChIKey InChI 1.03 CNNRPFQICPFDPO-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
SMILES CACTVS 3.385 CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
SMILES_CANONICAL OpenEye OEToolkits 2.0.6 CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
SMILES OpenEye OEToolkits 2.0.6 CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Chemical Database Mapping
Database Reference ID
DrugBank DB11220
ChEMBL CHEMBL1951714
PubChem 68406
ChEBI CHEBI:28243
SureChEMBL 16043
HMDB HMDB0034380
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