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(Q74417128)
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English
(4S,7R)-7-isopropyl-4-methyloxepan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-hydroxy-3,7-dimethyloctanoic acid lactone
0 references
mass
170.130679816
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(4R,7R)-7-isopropyl-4-methyloxepan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4R,7S)-7-isopropyl-4-methyloxepan-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₈O₂
0 references
canonical SMILES
CC1CCC(C(C)C)OC(=O)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]1CC[C@@H](OC(=O)C1)C(C)C
0 references
Identifiers
InChI
InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
0 references
InChIKey
GGAXPLCKKANQED-DTWKUNHWSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
11126704
1 reference
matched by identifier from
InChIKey
InChIKey
GGAXPLCKKANQED-DTWKUNHWSA-N
Reaxys registry number
5329546
1 reference
stated in
ChEBI release 2019-11-01
ChEBI ID
138383
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
UniChem compound ID
34618320
1 reference
stated in
UniChem
SwissLipids ID
SLM:000597970
1 reference
matched by identifier from
InChIKey
InChIKey
GGAXPLCKKANQED-DTWKUNHWSA-N
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