InCHi String:
InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
canonical and isomeric SMILES: CCCCCCCC
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAMEoctane
PubChem Substance (SID):
85165265 10504025 589203PubChem Compound (CID):
356KEGG: Compound ID
C01387CAS Registry IDs: 111-65-9 31372-91-5
PDB Chemical Component
OCTMiscellaneous Databases and IDs:
Sigma-Aldrich 296988_ALDRICH
ChEBI CHEBI:17590 EPA DSSTox 26883
HSDB 108
BioCyc CPD-148
ChemIDplus 000111659
ChemSpider 11636330
MMDB 49922.4
EINECS 203-892-1
NMRShiftDB 10016354
NIST Chemistry WebBook 3265695973
MMCD cq_00922
MDL MFCD00009556
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
