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5-Cyclododecylpentanoic acid (HCID 23344458)|Huagongshe
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Compound
5-Cyclododecylpentanoic acid
HCID
23344458
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Basic information
Names & identifiers
Properties
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Basic information
Standard SMILES
O=C(O)CCCCC1CCCCCCCCCCC1
InChIKey
VALHLCVZXZHHTR-UHFFFAOYSA-N
Molecular formula
C17H32O2
Average molar mass
268.4 g/mol
Names & identifiers
Preferred name
5-Cyclododecylpentanoic acid
IUPAC
5-cyclododecylpentanoic acid
Names & synonyms
5-cyclododecylpentanoic acid
SCHEMBL11464955
VALHLCVZXZHHTR-UHFFFAOYSA-N
Database identifiers
PubChem CID
23344458
Properties
Computed structural properties
XLogP
7.2
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
213
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
27304
As product
uspto-grants-1980_09
HRID
2314430
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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