dimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate

C18H28O7Si — CID 101047419

IUPACdimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate
SMILESCCO[Si](CCc1ccc(C(=O)OC)cc1C(=O)OC)(OCC)OCC
InChIInChI=1S/C18H28O7Si/c1-6-23-26(24-7-2,25-8-3)12-11-14-9-10-15(17(19)21-4)13-16(14)18(20)22-5/h9-10,13H,6-8,11-12H2,1-5H3
InChIKeyQSHJWHUXQAZKCM-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.85
Rot. Bonds11

About dimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate

dimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate (PubChem CID 101047419) has the molecular formula C18H28O7Si and a molecular weight of 384.50 g/mol. Its IUPAC name is dimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate
PubChem CID101047419
Molecular FormulaC18H28O7Si
Molecular Weight384.50 g/mol
Exact Mass384.16
IUPAC Namedimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate
SMILESCCO[Si](CCc1ccc(C(=O)OC)cc1C(=O)OC)(OCC)OCC
InChIInChI=1S/C18H28O7Si/c1-6-23-26(24-7-2,25-8-3)12-11-14-9-10-15(17(19)21-4)13-16(14)18(20)22-5/h9-10,13H,6-8,11-12H2,1-5H3
InChIKeyQSHJWHUXQAZKCM-UHFFFAOYSA-N
XLogP2.85
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-propylbenzene-1,4-dicarboxylate
CID 161443646
dimethyl 4-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxylate
CID 18476032
methyl 4-triethoxysilylbenzoate
CID 12006361
methyl 4-(1-ethoxyethenyl)-3-ethylbenzoate
CID 134387928
dimethyl 4-acetylbenzene-1,3-dicarboxylate
CID 69333095
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate
CID 11390757
methyl 2-(bromomethyl)-5-(2-chloropropanoyl)benzoate
CID 134648669
methyl 4-ethyl-3-formylbenzoate
CID 91332052
dimethyl 4-prop-2-enoxybenzene-1,3-dicarboxylate
CID 71377210
methyl 2-(bromomethyl)-5-ethoxybenzoate
CID 86723822
methanamine;methyl 3-chloro-4-ethoxybenzoate
CID 23512246

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate (CID 101047419) is dimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate is CCO[Si](CCc1ccc(C(=O)OC)cc1C(=O)OC)(OCC)OCC.
What is the InChIKey of dimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate?
The InChIKey is QSHJWHUXQAZKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O7Si/c1-6-23-26(24-7-2,25-8-3)12-11-14-9-10-15(17(19)21-4)13-16(14)18(20)22-5/h9-10,13H,6-8,11-12H2,1-5H3.
What are the key properties of dimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate?
dimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate has a molecular weight of 384.50 g/mol, XLogP of 2.85, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate is sourced from PubChem (CID 101047419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).