3-diethoxysilylpropyl benzoate

C14H22O4Si — CID 123660866

IUPAC3-diethoxysilylpropyl benzoate
SMILESCCO[SiH](CCCOC(=O)c1ccccc1)OCC
InChIInChI=1S/C14H22O4Si/c1-3-17-19(18-4-2)12-8-11-16-14(15)13-9-6-5-7-10-13/h5-7,9-10,19H,3-4,8,11-12H2,1-2H3
InChIKeyYEFRLKGMOGZLIP-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.53
Rot. Bonds9

About 3-diethoxysilylpropyl benzoate

3-diethoxysilylpropyl benzoate (PubChem CID 123660866) has the molecular formula C14H22O4Si and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-diethoxysilylpropyl benzoate.

Molecular Properties

Compound Name3-diethoxysilylpropyl benzoate
PubChem CID123660866
Molecular FormulaC14H22O4Si
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Name3-diethoxysilylpropyl benzoate
SMILESCCO[SiH](CCCOC(=O)c1ccccc1)OCC
InChIInChI=1S/C14H22O4Si/c1-3-17-19(18-4-2)12-8-11-16-14(15)13-9-6-5-7-10-13/h5-7,9-10,19H,3-4,8,11-12H2,1-2H3
InChIKeyYEFRLKGMOGZLIP-UHFFFAOYSA-N
XLogP2.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(111C)butyl benzoate
CID 11994383
4-diethoxysilylbutyl 4-ethenylbenzoate
CID 175332741
butyl benzoate;methane
CID 174523775
butyl benzoate;dihydrochloride
CID 141031125
3-aminopropyl benzoate;ethane
CID 144783067
methanol;pentyl benzoate
CID 175222419
hexyl benzoate
CID 23235
3-[3-(3-hydroxypropoxy)propoxy]propyl benzoate
CID 170190930
CID 172820816
CID 172820816
butyl benzoate;hexyl benzoate
CID 22163024
1,1'-biphenyl;butyl benzoate
CID 67401065
CID 162308343
CID 162308343

Frequently Asked Questions

What is the IUPAC name of 3-diethoxysilylpropyl benzoate?
The IUPAC name of 3-diethoxysilylpropyl benzoate (CID 123660866) is 3-diethoxysilylpropyl benzoate.
What is the SMILES notation for 3-diethoxysilylpropyl benzoate?
The canonical SMILES for 3-diethoxysilylpropyl benzoate is CCO[SiH](CCCOC(=O)c1ccccc1)OCC.
What is the InChIKey of 3-diethoxysilylpropyl benzoate?
The InChIKey is YEFRLKGMOGZLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4Si/c1-3-17-19(18-4-2)12-8-11-16-14(15)13-9-6-5-7-10-13/h5-7,9-10,19H,3-4,8,11-12H2,1-2H3.
What are the key properties of 3-diethoxysilylpropyl benzoate?
3-diethoxysilylpropyl benzoate has a molecular weight of 282.41 g/mol, XLogP of 2.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxysilylpropyl benzoate is sourced from PubChem (CID 123660866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).