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3,3-Dimethylheptadecanoyl chloride (HCID 20535294)|Huagongshe
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Compound
3,3-Dimethylheptadecanoyl chloride
HCID
20535294
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCCCCCCCCCCCC(C)(C)CC(=O)Cl
InChIKey
HFYYANWNMGBRBC-UHFFFAOYSA-N
Molecular formula
C19H37ClO
Average molar mass
316.9 g/mol
Monoisotopic mass
316.2532935
Names & identifiers
Preferred name
3,3-Dimethylheptadecanoyl chloride
IUPAC
3,3-dimethylheptadecanoyl chloride
Names & synonyms
SCHEMBL11288621
HFYYANWNMGBRBC-UHFFFAOYSA-N
3,3-dimethylheptadecanoyl chloride
Database identifiers
PubChem CID
20535294
Properties
Computed structural properties
XLogP
9.5
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
15
Heavy atoms
21
Formal charge
0
Complexity
248
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
1128780
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1156699
As reactant
uspto-grants-1982_06
HRID
1701649
As reactant
uspto-grants-1980_03
Compound notes
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