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Ethyl 3,3-dimethylhexanoate

HCID 14302176
NotesReactions

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Basic informationNames & identifiersRelated reactionsCompound notes
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Basic information

CAS
116169-12-1
Standard SMILES
CCCC(C)(C)CC(=O)OCC
InChIKey
ZDAFYPGTJKATQZ-UHFFFAOYSA-N
Molecular formula
C10H20O2
Average molar mass
172.268 g/mol
Monoisotopic mass
172.14632988

Names & identifiers

Preferred name
Ethyl 3,3-dimethylhexanoate
IUPAC
Ethyl 3,3-dimethylhexanoate

Database identifiers

CAS
116169-12-1
PubChem CID
14302176
DTXSID
DTXSID00558718
Nikkaji
J1.837.829I

Related reactions

6 records
New reaction record
HRID 153389 reaction equation
HRID 153389As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 294643 reaction equation
HRID 294643As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 867766 reaction equation
HRID 867766As productuspto-grants-1988_10
HRID 867767 reaction equation
HRID 867767As reactantuspto-grants-1988_10
HRID 1128455 reaction equation
HRID 1128455As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2269676 reaction equation
HRID 2269676As reactantuspto-grants-2001_12

Compound notes

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