bmse000375 L-menthone at BMRB

L-menthone

l-menthone; Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5R)-; l-Menthone; L-Menthan-3-one; L-Menthone; (-)-(2S,5R)-Menthone; (2S,5R)-5-methyl-2-(1-methylethyl)cyclohexanone; (-)-menthone; p-Menthan-3-one; (1R,4S)-p-menthan-3-one; (1R,4S)-p-Menthan-3-one

Molecular Formula: C10 H18 O
Natural Isotopic Abundance Mass: 154.24932
Mono-Isotopic Molecular Masses: C12N14: 154.1357651999; C13N14: 164.1693135779; C12N15: 154.1357651999; C13N15: 164.1693135779

L-menthone

InCHi String:
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1

canonical SMILES:
CC1CCC(C(=O)C1)C(C)C
isomeric SMILES:
C[C@@H]1CC[C@H](C(=O)C1)C(C)C

PUBCHEM iupac NAME
(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
(2S,5R)-2-isopropyl-5-methyl-cyclohexan-1-one

PUBCHEM iupac CAS NAME
(2S,5R)-2-isopropyl-5-methyl-1-cyclohexanone

PUBCHEM iupac SYSTEMATIC NAME
(2S,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-one

PubChem Substance (SID):   85165169   17486467   29293290
PubChem Compound (CID):   26447
KEGG: Compound ID   C00843
CAS Registry IDs:   14073-97-3   21060-23-1   10458-14-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich W266701_ALDRICH   ChEBI CHEBI:15410   ChemBank Spectrum_001299   ChemIDplus 014073973   ChemSpider 24636   EINECS 237-926-1   NMRShiftDB 20062595   NIAID 032329   CambridgeSoft Corporation 6172   Emory University Molecular Libraries Screening Center SPECTRUM300564   LipidMAPS LMPR01020019   ZINC ZINC00967796   UM-BBD c1067   MMCD cq_00574   MDL MFCD00001634

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.