Molecular Identity
Isodecyl octyl phthalate
2-O-(8-methylnonyl) 1-O-octyl benzene-1,2-dicarboxylate
PubChem CID: 14902
2D Structure
Properties
C26H42O4
Molecular Formula
418.60
Molecular Weight
g/mol
418.3083
Exact Mass
Da
9.8
XLogP
Above Lipinski threshold
52.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
446
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)CIsomeric SMILES
SMILES: CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)CSynonyms(20)
ISODECYL OCTYL PHTHALATEDinopol ido1,2-Benzenedicarboxylic acid, isodecyl octyl esterUNII-27TBU88J06HSDB 581427TBU88J06EINECS 215-554-0DTXSID90616751,2-Benzenedicarboxylic acid, 1-isodecyl 2-octyl esterISODECYL ALCOHOL, OCTYL PHTHALATERefChem:149264DTXCID70341291,2Benzenedicarboxylic acid, isodecyl octyl ester215-554-0UXLBXTIBYMXRNX-UHFFFAOYSA-N
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Isodecyl octyl phthalate
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