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2,2-Dimethylnon-8-enoic acid

HCID 59497178
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
923289-45-6
Standard SMILES
C=CCCCCCC(C)(C)C(=O)O
InChIKey
MIOSIIYSGVPBLB-UHFFFAOYSA-N
Molecular formula
C11H20O2
Average molar mass
184.27 g/mol
Monoisotopic mass
184.14632988

Names & identifiers

Preferred name
2,2-Dimethylnon-8-enoic acid
IUPAC
2,2-dimethylnon-8-enoic acid

Names & synonyms

2,2-dimethylnon-8-enoic acid923289-45-6SCHEMBL2212000DTXSID20732194MIOSIIYSGVPBLB-UHFFFAOYSA-N

Database identifiers

CAS
923289-45-6
PubChem CID
59497178
DTXSID
DTXSID20732194

Properties

Computed structural propertiesFilling in

XLogP
3.7
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
13
Formal charge
0
Complexity
171

Related reactions

4 records
New reaction record
HRID 1217997 reaction equation
HRID 1217997As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1227329 reaction equation
HRID 1227329As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1669571 reaction equation
HRID 1669571As productuspto-grants-2011_08
HRID 1669572 reaction equation
HRID 1669572As reactantuspto-grants-2011_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes