Chem
J-GLOBAL ID:200907089361813333   Nikkaji number:J111.430A

(3R,4S)-3,4-Dimethyladipic acid dimethyl ester

(3R,4S)-3,4-ジメチルアジピン酸ジメチル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C10H18O4
Molecular formula furigana: C10-H18-O4
Molecular weight: 202.250
InChI: InChI=1S/C10H18O4/c1-7(5-9(11)13-3)8(2)6-10(12)14-4/h7-8H,5-6H2,1-4H3/t7-,8+
InChI key: KESZJEAHJIQHHK-OCAPTIKFSA-N
SMILES: COC(=O)C[C@H](C)[C@H](C)CC(=O)OC
Systematic name  (4):
  • (3R,4S)-3,4-ジメチルヘキサン二酸ジメチル
  • (3R,4S)-3,4-ジメチルアジピン酸ジメチル
  • 1,6-ジメチル (3R,4S)-3,4-ジメチルヘキサンジオアート
  • 1,6-dimethyl (3R,4S)-3,4-dimethylhexanedioate
Other name (2):
  • (3R,4S)-3,4-Dimethylhexanedioic acid dimethyl ester
  • (3R,4S)-3,4-Dimethyladipic acid dimethyl ester
CAS registry number: 6076-81-9
Regulation number (1):
  • (2)-879
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