[3-(3-trimethoxysilylpropoxy)phenyl] benzoate

C19H24O6Si — CID 20509689

IUPAC[3-(3-trimethoxysilylpropoxy)phenyl] benzoate
SMILESCO[Si](CCCOc1cccc(OC(=O)c2ccccc2)c1)(OC)OC
InChIInChI=1S/C19H24O6Si/c1-21-26(22-2,23-3)14-8-13-24-17-11-7-12-18(15-17)25-19(20)16-9-5-4-6-10-16/h4-7,9-12,15H,8,13-14H2,1-3H3
InChIKeyDGGQHFVSFIFYNB-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.55
Rot. Bonds10

About [3-(3-trimethoxysilylpropoxy)phenyl] benzoate

[3-(3-trimethoxysilylpropoxy)phenyl] benzoate (PubChem CID 20509689) has the molecular formula C19H24O6Si and a molecular weight of 376.48 g/mol. Its IUPAC name is [3-(3-trimethoxysilylpropoxy)phenyl] benzoate.

Molecular Properties

Compound Name[3-(3-trimethoxysilylpropoxy)phenyl] benzoate
PubChem CID20509689
Molecular FormulaC19H24O6Si
Molecular Weight376.48 g/mol
Exact Mass376.13
IUPAC Name[3-(3-trimethoxysilylpropoxy)phenyl] benzoate
SMILESCO[Si](CCCOc1cccc(OC(=O)c2ccccc2)c1)(OC)OC
InChIInChI=1S/C19H24O6Si/c1-21-26(22-2,23-3)14-8-13-24-17-11-7-12-18(15-17)25-19(20)16-9-5-4-6-10-16/h4-7,9-12,15H,8,13-14H2,1-3H3
InChIKeyDGGQHFVSFIFYNB-UHFFFAOYSA-N
XLogP3.55
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-triethoxysilylpropoxy)phenyl] benzoate
CID 52911417
ethane;methane;(3-methoxyphenyl) benzoate;propan-2-one
CID 159464781
[3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate
CID 101347668
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
[3-(3-benzoyloxyphenoxy)carbonyloxyphenyl] benzoate
CID 22982979
(4-methoxyphenyl) 3-butoxybenzoate
CID 23012333
4-(3-methoxyphenoxy)-1-phenylbutan-1-one
CID 43218335
3-(4-butoxybenzoyl)oxybenzoic acid
CID 54855226
(3-methylphenyl) 4-(2-phenoxyethoxy)benzoate
CID 23011970
dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate
CID 157094807
[4-[3-[4-(4-hexadecoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-dodecoxybenzoate
CID 102071974
[4-[3-[4-[4-[5-[4-[4-[3-[4-(4-octadecoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenoxy]carbonylphenoxy]pentoxy]benzoyl]oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-octadecoxybenzoate
CID 102574900

Frequently Asked Questions

What is the IUPAC name of [3-(3-trimethoxysilylpropoxy)phenyl] benzoate?
The IUPAC name of [3-(3-trimethoxysilylpropoxy)phenyl] benzoate (CID 20509689) is [3-(3-trimethoxysilylpropoxy)phenyl] benzoate.
What is the SMILES notation for [3-(3-trimethoxysilylpropoxy)phenyl] benzoate?
The canonical SMILES for [3-(3-trimethoxysilylpropoxy)phenyl] benzoate is CO[Si](CCCOc1cccc(OC(=O)c2ccccc2)c1)(OC)OC.
What is the InChIKey of [3-(3-trimethoxysilylpropoxy)phenyl] benzoate?
The InChIKey is DGGQHFVSFIFYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O6Si/c1-21-26(22-2,23-3)14-8-13-24-17-11-7-12-18(15-17)25-19(20)16-9-5-4-6-10-16/h4-7,9-12,15H,8,13-14H2,1-3H3.
What are the key properties of [3-(3-trimethoxysilylpropoxy)phenyl] benzoate?
[3-(3-trimethoxysilylpropoxy)phenyl] benzoate has a molecular weight of 376.48 g/mol, XLogP of 3.55, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-trimethoxysilylpropoxy)phenyl] benzoate is sourced from PubChem (CID 20509689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).