bmse000431 Cyclohexanol at BMRB

Cyclohexanol

ANOL; Hexalin; CXL; Cyclohexanone cyclohexanol mixture; Hydroxycyclohexane; CYCLOHEXANOL; Hydrophenol; Adronol; Cyclohexyl Alcohol; Cicloesanolo [Italian]; Naxol

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

Cyclohexanol

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.