InCHi String:
InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
canonical and isomeric SMILES: CC1(C2CCC(O1)(CC2)C)C
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane
PubChem Substance (SID):
85165304 37913855 588127PubChem Compound (CID):
2758KEGG: Compound ID
D04115CAS Registry IDs: 8024-53-1 8024-52-0 10458-11-4 470-82-6
PDB Chemical Component
CNLMiscellaneous Databases and IDs:
Sigma-Aldrich C80601_ALDRICH
ChEBI CHEBI:27961 HSDB 991
ChemIDplus 000470826
ChemSpider 13885235
MMDB 32734.4
EINECS 207-431-5
CCRIS 3727
NMRShiftDB 10008910
NIAID 014671
DTP/NCI 6171
EPA DSSTox 32769
ZINC ZINC00967566
NINDS Approved Drug Screening Program 01500294
DrugBank DB03852
ChemDB 3966024
NCGC NCGC00178671-01
NIST Chemistry WebBook 1151014208
MMCD cq_06514
MDL MFCD00167977
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
