BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Cyclohexanol

Graphical representations:

Cyclohexanol image

Molecular Formula: C6 H12 O

Natural Isotopic Abundance Mass: 100.15888

Mono-Isotopic Molecular Masses:

  • C12N14: 100.0888150073
  • C13N14: 106.1089440341
  • C12N15: 100.0888150073
  • C13N15: 106.1089440341

InCHi String: InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2

canonical and isomeric SMILES: C1CCC(CC1)O

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

PubChem Substance (SID):   85165220   4111   38324432
PubChem Compound (CID):   7966
KEGG: Compound ID   C00854
CAS Registry IDs:   108-93-0
PDB Chemical Component   CXL
Miscellaneous Databases and IDs:   Sigma-Aldrich 29100_FLUKA   ChEBI CHEBI:18099   HSDB 61   ChemIDplus 000108930   MLSMR MLS000029443   ChemSpider 11225575   MMDB 1142.9   EINECS 203-630-6   CCRIS 5896   UM-BBD c0175   DrugBank DB03703   Beilstein Handbook Reference 4-06-00-00020   NIST Chemistry WebBook 1858111510

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.