methyl 4-triethoxysilylbenzoate

C14H22O5Si — CID 12006361

IUPACmethyl 4-triethoxysilylbenzoate
SMILESCCO[Si](OCC)(OCC)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H22O5Si/c1-5-17-20(18-6-2,19-7-3)13-10-8-12(9-11-13)14(15)16-4/h8-11H,5-7H2,1-4H3
InChIKeyMNOUFCPSIPDMIK-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.73
Rot. Bonds8

About methyl 4-triethoxysilylbenzoate

methyl 4-triethoxysilylbenzoate (PubChem CID 12006361) has the molecular formula C14H22O5Si and a molecular weight of 298.41 g/mol. Its IUPAC name is methyl 4-triethoxysilylbenzoate.

Molecular Properties

Compound Namemethyl 4-triethoxysilylbenzoate
PubChem CID12006361
Molecular FormulaC14H22O5Si
Molecular Weight298.41 g/mol
Exact Mass298.12
IUPAC Namemethyl 4-triethoxysilylbenzoate
SMILESCCO[Si](OCC)(OCC)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H22O5Si/c1-5-17-20(18-6-2,19-7-3)13-10-8-12(9-11-13)14(15)16-4/h8-11H,5-7H2,1-4H3
InChIKeyMNOUFCPSIPDMIK-UHFFFAOYSA-N
XLogP1.73
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethoxy(trimethyl)silane;methyl benzoate
CID 91180329
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
ethyl 4-[dimethoxy(methyl)silyl]benzoate
CID 102074408
1-O-methyl 4-O-propanoyl benzene-1,4-dicarboxylate
CID 21099286
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 4-[4-(4-methoxycarbonylphenyl)-3,4-dimethylhexan-3-yl]benzoate
CID 139675985
sodium 4-methoxycarbonylbenzenethiolate
CID 102377874
methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
CID 143837659
methyl 4-(sulfinylamino)benzoate
CID 13212869
methyl 4-(1,1-difluoropropyl)benzoate
CID 116991958
methyl 4-methylbenzoate
CID 91113291
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152

Frequently Asked Questions

What is the IUPAC name of methyl 4-triethoxysilylbenzoate?
The IUPAC name of methyl 4-triethoxysilylbenzoate (CID 12006361) is methyl 4-triethoxysilylbenzoate.
What is the SMILES notation for methyl 4-triethoxysilylbenzoate?
The canonical SMILES for methyl 4-triethoxysilylbenzoate is CCO[Si](OCC)(OCC)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-triethoxysilylbenzoate?
The InChIKey is MNOUFCPSIPDMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5Si/c1-5-17-20(18-6-2,19-7-3)13-10-8-12(9-11-13)14(15)16-4/h8-11H,5-7H2,1-4H3.
What are the key properties of methyl 4-triethoxysilylbenzoate?
methyl 4-triethoxysilylbenzoate has a molecular weight of 298.41 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-triethoxysilylbenzoate is sourced from PubChem (CID 12006361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).