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3-Methyl-2-nonen-1-YL acetate (HCID 73677594)|Huagongshe
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Compound
3-Methyl-2-nonen-1-YL acetate
HCID
73677594
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCCCC(C)=CCOC(C)=O
InChIKey
DZTNWVHACBMNKD-UHFFFAOYSA-N
Molecular formula
C12H22O2
Average molar mass
198.3 g/mol
Names & identifiers
Preferred name
3-Methyl-2-nonen-1-YL acetate
IUPAC
3-methylnon-2-enyl acetate
Names & synonyms
DZTNWVHACBMNKD-UHFFFAOYSA-N
3-METHYL-2-NONEN-1-YL ACETATE
Database identifiers
PubChem CID
73677594
Properties
Computed structural properties
XLogP
4.2
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
8
Heavy atoms
14
Formal charge
0
Complexity
183
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
1863148
As product
uspto-grants-1979_09
HRID
2132490
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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