Chem
J-GLOBAL ID：200907049158069635
Nikkaji number：J752.215K
7α-Hexyloxepan-2-one
7α-ヘキシルオキセパン-2-オン
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
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
Molecular formula： C12H22O2
Molecular formula furigana： C12-H22-O2
Molecular weight： 198.306
InChI：
InChI=1S/C12H22O2/c1-2-3-4-5-8-11-9-6-7-10-12(13)14-11/h11H,2-10H2,1H3/t11-/m0/s1
InChI key：
FRTMRFCNTDDSOB-NSHDSACASA-N
SMILES：
CCCCCC[C@H]1CCCCC(=O)O1
Systematic name (5)：
- 7α-ヘキシルオキセパン-2-オン
- (7S)-7α-ヘキシルオキセパン-2-オン
- (S)-7-ヘキシルオキセパン-2-オン
- (7S)-7-ヘキシルオキセパン-2-オン
- (7S)-7-hexyloxepan-2-one
- 7α-Hexyloxepan-2-one
- (7S)-7α-Hexyloxepane-2-one
- (S)-7-Hexyloxepane-2-one
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