bmse000545 cyclohexane at BMRB

cyclohexane

Benzene, hexahydro-; benzenehexahydride; hexanaphthene; Hexahydrobenzene; hexahydrobenzene; Cyclohexan; Cyclohexane, oxidized, non-volatile residue; CYCLOHEXANE; Poly(cyclohexane); hexahydro-Benzene; hexamethylene

Molecular Formula: C6 H12
Natural Isotopic Abundance Mass: 84.15948
Mono-Isotopic Molecular Masses: C12N14: 84.0939003852; C13N14: 90.114029412; C12N15: 84.0939003852; C13N15: 90.114029412

cyclohexane

InCHi String:
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

canonical and isomeric SMILES:
C1CCCCC1

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
cyclohexane

PubChem Substance (SID):   85165326   476727   13426
PubChem Compound (CID):   8078
KEGG: Compound ID   C11249
CAS Registry IDs:   68411-76-7   110-82-7   25012-93-5
PDB Chemical Component   CHX
Miscellaneous Databases and IDs:   Sigma-Aldrich 227048_ALDRICH   ChEBI CHEBI:29005   HSDB 60   ChemIDplus 025012935   Caswell No. 269   ChemSpider 13691928   MMDB 68047.4   EINECS 203-806-2   CCRIS 3928   NMRShiftDB 10811   DTP/NCI 406835   EPA Pesticide Chemical Code 025901   EPA DSSTox 31070   UM-BBD c0941   DrugBank DB03561   ChemDB 3969574   NIST Chemistry WebBook 2054881076   MMCD cq_07897   MDL MFCD00003814

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.