Chem
J-GLOBAL ID：200907086600682654   Nikkaji number：J1.149.705E

2,4,4-Trimethyl-3-[(S)-3-hydroxybutyl]-2-cyclohexene-1-one

2,4,4-トリメチル-3-[(S)-3-ヒドロキシブチル]-2-シクロヘキセン-1-オン
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： C13H22O2
Molecular formula furigana： C13-H22-O2
Molecular weight： 210.317
InChI： InChI=1S/C13H22O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h9,14H,5-8H2,1-4H3/t9-/m0/s1
InChI key： KNHUHSLRIKTCIY-VIFPVBQESA-N
SMILES： C[C@H](O)CCC1=C(C)C(=O)CCC1(C)C
Systematic name  (3)：
  • 2,4,4-トリメチル-3-[(S)-3-ヒドロキシブチル]-2-シクロヘキセン-1-オン
  • 3-[(3S)-3-ヒドロキシブチル]-2,4,4-トリメチルシクロヘキサ-2-エン-1-オン
  • 3-[(3S)-3-hydroxybutyl]-2,4,4-trimethylcyclohex-2-en-1-one
Other name (1)：
  • 2,4,4-Trimethyl-3-[(S)-3-hydroxybutyl]-2-cyclohexene-1-one
Thsaurus map：
Thesaurus Map

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