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Compound
11-Methyl-8-oxa-13-tridecanolide
HCID
10799375
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC1CCOCCCCCCC(=O)OCC1
InChIKey
BKFPNEVYDQHZNR-UHFFFAOYSA-N
Molecular formula
C13H24O3
Average molar mass
228.33 g/mol
Names & identifiers
Preferred name
11-Methyl-8-oxa-13-tridecanolide
IUPAC
4-methyl-1,7-dioxacyclotetradecan-8-one
Names & synonyms
BKFPNEVYDQHZNR-UHFFFAOYSA-N
11-Methyl-8-oxa-13-tridecanolide
Database identifiers
PubChem CID
10799375
Nikkaji
J1.025.754I
Properties
Computed structural properties
XLogP
2.8
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
16
Formal charge
0
Complexity
192
Show all 8
Show all 8 / 8
Related reactions
8 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
308758
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
617276
As reactant
uspto-grants-1999_09
HRID
617277
As reactant
uspto-grants-1999_09
HRID
617278
As reactant
uspto-grants-1999_09
HRID
617279
As reactant
uspto-grants-1999_09
HRID
1555096
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID
1573523
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID
2156567
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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Compound notes
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