Isotridecyl benzoate

HCID 44129487
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Basic information

Standard SMILES
CC(C)CCCCCCCCCCOC(=O)c1ccccc1
InChIKey
KHIKGIMTAWBGOC-UHFFFAOYSA-N
Molecular formula
C20H32O2
Average molar mass
304.5 g/mol
Monoisotopic mass
304.24023026

Names & identifiers

Preferred name
Isotridecyl benzoate
IUPAC
11-methyldodecyl benzoate

Names & synonyms

isotridecyl benzoateSCHEMBL13048767KHIKGIMTAWBGOC-UHFFFAOYSA-N

Database identifiers

PubChem CID
44129487

Properties

Computed structural properties

XLogP
8.4
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
13
Heavy atoms
22

Related reactions

1 records
New reaction record

Compound notes

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