1-O-(2-ethylhexyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate

C19H30O4Si — CID 91735738

IUPAC1-O-(2-ethylhexyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate
SMILESCCCCC(CC)COC(=O)c1ccccc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C19H30O4Si/c1-6-8-11-15(7-2)14-22-18(20)16-12-9-10-13-17(16)19(21)23-24(3,4)5/h9-10,12-13,15H,6-8,11,14H2,1-5H3
InChIKeyAVSOQCFDBGCSRU-UHFFFAOYSA-N
MW350.53 g/mol
LogP5.05
Rot. Bonds9

About 1-O-(2-ethylhexyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate

1-O-(2-ethylhexyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate (PubChem CID 91735738) has the molecular formula C19H30O4Si and a molecular weight of 350.53 g/mol. Its IUPAC name is 1-O-(2-ethylhexyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-(2-ethylhexyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate
PubChem CID91735738
Molecular FormulaC19H30O4Si
Molecular Weight350.53 g/mol
Exact Mass350.19
IUPAC Name1-O-(2-ethylhexyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate
SMILESCCCCC(CC)COC(=O)c1ccccc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C19H30O4Si/c1-6-8-11-15(7-2)14-22-18(20)16-12-9-10-13-17(16)19(21)23-24(3,4)5/h9-10,12-13,15H,6-8,11,14H2,1-5H3
InChIKeyAVSOQCFDBGCSRU-UHFFFAOYSA-N
XLogP5.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.53
LogP ≤ 55.05
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

Dibutyl Phthalate
CID 3026
Diethyl Phthalate
CID 6781
Dimethyl Phthalate
CID 8554
Diisobutyl phthalate
CID 6782
di-N-Octyl Phthalate
CID 8346
Diisodecyl Phthalate
CID 33599
Dicyclohexyl phthalate
CID 6777
Butyl Benzyl Phthalate
CID 2347
Dipentyl phthalate
CID 8561
Di(2-ethylhexyl) phthalate
CID 8343
Dipropyl phthalate
CID 8559
Monobutyl phthalate
CID 8575

Frequently Asked Questions

What is the IUPAC name of 1-O-(2-ethylhexyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate?
The IUPAC name of 1-O-(2-ethylhexyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate (CID 91735738) is 1-O-(2-ethylhexyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate.
What is the SMILES notation for 1-O-(2-ethylhexyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate?
The canonical SMILES for 1-O-(2-ethylhexyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate is CCCCC(CC)COC(=O)c1ccccc1C(=O)O[Si](C)(C)C.
What is the InChIKey of 1-O-(2-ethylhexyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate?
The InChIKey is AVSOQCFDBGCSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4Si/c1-6-8-11-15(7-2)14-22-18(20)16-12-9-10-13-17(16)19(21)23-24(3,4)5/h9-10,12-13,15H,6-8,11,14H2,1-5H3.
What are the key properties of 1-O-(2-ethylhexyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate?
1-O-(2-ethylhexyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate has a molecular weight of 350.53 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2-ethylhexyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate is sourced from PubChem (CID 91735738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).