BMRB

Biological Magnetic Resonance Data Bank


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

Terpinolene

Graphical representations:

Terpinolene image

Molecular Formula: C10 H16

Natural Isotopic Abundance Mass: 136.23404

Mono-Isotopic Molecular Masses:

  • C12N14: 136.1252005136
  • C13N14: 146.1587488916
  • C12N15: 136.1252005136
  • C13N15: 146.1587488916

InCHi String:

canonical and isomeric SMILES: CC1=CCC(=C(C)C)CC1

PUBCHEM iupac NAME
1-methyl-4-propan-2-ylidenecyclohexene

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
4-isopropylidene-1-methyl-cyclohexene

PUBCHEM iupac CAS NAME
4-isopropylidene-1-methylcyclohexene

PUBCHEM iupac SYSTEMATIC NAME
1-methyl-4-propan-2-ylidene-cyclohexene

PubChem Substance (SID):   85165286   7503316   24901446
PubChem Compound (CID):   11463
KEGG: Compound ID   C06075
CAS Registry IDs:   69073-38-7   586-62-9
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich W304603_ALDRICH   ChEBI CHEBI:9457   EPA DSSTox 41495   HSDB 5702   ChemIDplus 000586629   ChemSpider 13885253   EINECS 209-578-0   ChemDB 6691720   NIST Chemistry WebBook 2216120360   MMCD cq_03419   MDL MFCD00049191

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.