bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene

C30H42Cl2O4 — CID 67686577

IUPACbis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
SMILESCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC.Clc1ccccc1Cl
InChIInChI=1S/C24H38O4.C6H4Cl2/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2;7-5-3-1-2-4-6(5)8/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3;1-4H
InChIKeyUJUFPDSOSRJWQU-UHFFFAOYSA-N
MW537.57 g/mol
LogP9.43
Rot. Bonds14

About bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene

bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene (PubChem CID 67686577) has the molecular formula C30H42Cl2O4 and a molecular weight of 537.57 g/mol. Its IUPAC name is bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene.

Molecular Properties

Compound Namebis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
PubChem CID67686577
Molecular FormulaC30H42Cl2O4
Molecular Weight537.57 g/mol
Exact Mass536.25
IUPAC Namebis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
SMILESCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC.Clc1ccccc1Cl
InChIInChI=1S/C24H38O4.C6H4Cl2/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2;7-5-3-1-2-4-6(5)8/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3;1-4H
InChIKeyUJUFPDSOSRJWQU-UHFFFAOYSA-N
XLogP9.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.57
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
bis(2-ethyldecyl) benzene-1,2-dicarboxylate
CID 18462811
1-O-(2-ethyldecyl) 2-O-(2-ethylundecyl) benzene-1,2-dicarboxylate
CID 44589518
ethanol;2-(2-ethylhexoxycarbonyl)benzoic acid
CID 175410629
1-O-decyl 2-O-(2-ethylhexyl) benzene-1,2-dicarboxylate
CID 3020636
2-ethylhexyl 2,3-dihydroxybenzoate
CID 175413950
2-ethylhexyl 2-(diethylamino)benzoate
CID 68841644
2-ethylhexyl 2-amino-6-chlorobenzoate
CID 63663634
2-ethylhexyl 2-[4-(4-phenylphenyl)benzoyl]benzoate
CID 118478540
4-O,5-O-diethyl 1-O,2-O-bis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate
CID 50905906
4-O-(2-chlorophenyl) 1-O-(2-ethylhexyl) (E)-but-2-enedioate
CID 91701260
[2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate
CID 146469755

Frequently Asked Questions

What is the IUPAC name of bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene?
The IUPAC name of bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene (CID 67686577) is bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene.
What is the SMILES notation for bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene?
The canonical SMILES for bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene is CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC.Clc1ccccc1Cl.
What is the InChIKey of bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene?
The InChIKey is UJUFPDSOSRJWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O4.C6H4Cl2/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2;7-5-3-1-2-4-6(5)8/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3;1-4H.
What are the key properties of bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene?
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene has a molecular weight of 537.57 g/mol, XLogP of 9.43, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene is sourced from PubChem (CID 67686577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).