4-diethoxysilylbutyl 4-ethenylbenzoate

C17H26O4Si — CID 175332741

IUPAC4-diethoxysilylbutyl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OCCCC[SiH](OCC)OCC)cc1
InChIInChI=1S/C17H26O4Si/c1-4-15-9-11-16(12-10-15)17(18)19-13-7-8-14-22(20-5-2)21-6-3/h4,9-12,22H,1,5-8,13-14H2,2-3H3
InChIKeyWDRZNJXWFKVTHF-UHFFFAOYSA-N
MW322.48 g/mol
LogP3.56
Rot. Bonds11

About 4-diethoxysilylbutyl 4-ethenylbenzoate

4-diethoxysilylbutyl 4-ethenylbenzoate (PubChem CID 175332741) has the molecular formula C17H26O4Si and a molecular weight of 322.48 g/mol. Its IUPAC name is 4-diethoxysilylbutyl 4-ethenylbenzoate.

Molecular Properties

Compound Name4-diethoxysilylbutyl 4-ethenylbenzoate
PubChem CID175332741
Molecular FormulaC17H26O4Si
Molecular Weight322.48 g/mol
Exact Mass322.16
IUPAC Name4-diethoxysilylbutyl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OCCCC[SiH](OCC)OCC)cc1
InChIInChI=1S/C17H26O4Si/c1-4-15-9-11-16(12-10-15)17(18)19-13-7-8-14-22(20-5-2)21-6-3/h4,9-12,22H,1,5-8,13-14H2,2-3H3
InChIKeyWDRZNJXWFKVTHF-UHFFFAOYSA-N
XLogP3.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 53.56
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'}

Analyze 4-diethoxysilylbutyl 4-ethenylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexyl 4-ethenylbenzoate
CID 12541506
3-diethoxysilylpropyl benzoate
CID 123660866
5-bromopentyl 4-ethenylbenzoate
CID 54019940
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927
4-(2-chloroethoxy)butyl 4-ethenylbenzoate
CID 57236268
2-methoxyethyl 4-ethenylbenzoate
CID 58960727
[(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate
CID 101015957
6-(2,4-diaminophenoxy)hexyl 4-ethenylbenzoate
CID 130380816
ethyl 4-[2-(4-ethenylphenyl)ethynyl]benzoate
CID 132532578
2-prop-2-enoxyethyl 4-ethenylbenzoate
CID 58769638
hexadecyl 4-formylbenzoate
CID 13404983
6-(4-formylbenzoyl)oxyhexyl 4-formylbenzoate
CID 102486247

Frequently Asked Questions

What is the IUPAC name of 4-diethoxysilylbutyl 4-ethenylbenzoate?
The IUPAC name of 4-diethoxysilylbutyl 4-ethenylbenzoate (CID 175332741) is 4-diethoxysilylbutyl 4-ethenylbenzoate.
What is the SMILES notation for 4-diethoxysilylbutyl 4-ethenylbenzoate?
The canonical SMILES for 4-diethoxysilylbutyl 4-ethenylbenzoate is C=Cc1ccc(C(=O)OCCCC[SiH](OCC)OCC)cc1.
What is the InChIKey of 4-diethoxysilylbutyl 4-ethenylbenzoate?
The InChIKey is WDRZNJXWFKVTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4Si/c1-4-15-9-11-16(12-10-15)17(18)19-13-7-8-14-22(20-5-2)21-6-3/h4,9-12,22H,1,5-8,13-14H2,2-3H3.
What are the key properties of 4-diethoxysilylbutyl 4-ethenylbenzoate?
4-diethoxysilylbutyl 4-ethenylbenzoate has a molecular weight of 322.48 g/mol, XLogP of 3.56, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxysilylbutyl 4-ethenylbenzoate is sourced from PubChem (CID 175332741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).