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(Q82300267)
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English
6-Octenoic acid, 3,7-dimethyl-, methyl ester, (S)-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,6-dimethyloctane monoterpenoid
0 references
biogenic acyclic ester
0 references
mass
184.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (3R)-3,7-dimethyloct-6-enoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₂₀O₂
0 references
canonical SMILES
O=C(OC)CC(C)CCC=C(C)C
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isomeric SMILES
COC(=O)C[C@@H](C)CCC=C(C)C
0 references
found in taxon
Leptospermum scoparium
1 reference
stated in
Essential oils from New Zealand manuka: triketone and other chemotypes of Leptospermum scoparium.
Acca sellowiana
1 reference
stated in
Compositional Analysis and Aroma Evaluation of Feijoa Essential Oils from New Zealand Grown Cultivars
Acorus calamus
1 reference
stated in
Composition of Essential Oil of Sweet Flag (Acorus calamus L.) Leaves at Different Growing Phases
Psidium guajava
1 reference
stated in
Volatile compounds in different parts of the fruit Psidium guajava L. cv. "Media China" identified at distinct phenological stages using HS-SPME-GC-QTOF/MS
Capsicum annuum
1 reference
stated in
Influence of different drying technologies on the volatile components of chilli (<I>Capsicum annuum</I> L.) powder
Camellia sinensis
1 reference
stated in
Volatile profile analysis and quality prediction of Longjing tea (Camellia sinensis) by HS-SPME/GC-MS.
Identifiers
InChI
InChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,10H,5,7-8H2,1-4H3/t10-/m0/s1
0 references
InChIKey
ZFLPOPCZMXGUOJ-JTQLQIEISA-N
0 references
CAS Registry Number
56994-89-9
0 references
PubChem CID
11745305
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ZFLPOPCZMXGUOJ-JTQLQIEISA-N
ChEBI ID
167342
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,10H,5,7-8H2,1-4H3/t10-/m0/s1
UniChem compound ID
25179040
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10471661
1 reference
matched by identifier from
InChIKey
InChIKey
ZFLPOPCZMXGUOJ-JTQLQIEISA-N
DSSTOX compound identifier
DTXCID70422477
0 references
KNApSAcK ID
C00055583
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZFLPOPCZMXGUOJ-JTQLQIEISA-N
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