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

C28H50O4Si — CID 67644728

IUPACbis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
SMILESCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC.C[Si](C)(C)C
InChIInChI=1S/C24H38O4.C4H12Si/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;1-5(2,3)4/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3;1-4H3
InChIKeyTUVLVTQXAKMYME-UHFFFAOYSA-N
MW478.79 g/mol
LogP8.39
Rot. Bonds14

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

bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane (PubChem CID 67644728) has the molecular formula C28H50O4Si and a molecular weight of 478.79 g/mol. Its IUPAC name is bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane.

Molecular Properties

Compound Namebis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
PubChem CID67644728
Molecular FormulaC28H50O4Si
Molecular Weight478.79 g/mol
Exact Mass478.35
IUPAC Namebis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
SMILESCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC.C[Si](C)(C)C
InChIInChI=1S/C24H38O4.C4H12Si/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;1-5(2,3)4/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3;1-4H3
InChIKeyTUVLVTQXAKMYME-UHFFFAOYSA-N
XLogP8.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.79
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
CID 67686577
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
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;(3R,4S,5R)-oxane-2,3,4,5-tetrol
CID 67524361
2-ethylhexyl 2-(diethylamino)benzoate
CID 68841644
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
[2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate
CID 146469755
1-O,4-O-bis[(2R)-2-ethylhexyl] 2-O-[(2S)-2-ethylhexyl] benzene-1,2,4-tricarboxylate
CID 42580152

Frequently Asked Questions

What is the IUPAC name of bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane?
The IUPAC name of bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane (CID 67644728) is bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane.
What is the SMILES notation for bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane?
The canonical SMILES for bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane is CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC.C[Si](C)(C)C.
What is the InChIKey of bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane?
The InChIKey is TUVLVTQXAKMYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O4.C4H12Si/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;1-5(2,3)4/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3;1-4H3.
What are the key properties of bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane?
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane has a molecular weight of 478.79 g/mol, XLogP of 8.39, 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;tetramethylsilane is sourced from PubChem (CID 67644728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).