ethenyl 3-[butyl(phenyl)silyl]propanoate

C15H22O2Si — CID 174707661

IUPACethenyl 3-[butyl(phenyl)silyl]propanoate
SMILESC=COC(=O)CC[SiH](CCCC)c1ccccc1
InChIInChI=1S/C15H22O2Si/c1-3-5-12-18(13-11-15(16)17-4-2)14-9-7-6-8-10-14/h4,6-10,18H,2-3,5,11-13H2,1H3
InChIKeyWKRRCWKGQXBTKP-UHFFFAOYSA-N
MW262.43 g/mol
LogP3.00
Rot. Bonds8

About ethenyl 3-[butyl(phenyl)silyl]propanoate

ethenyl 3-[butyl(phenyl)silyl]propanoate (PubChem CID 174707661) has the molecular formula C15H22O2Si and a molecular weight of 262.43 g/mol. Its IUPAC name is ethenyl 3-[butyl(phenyl)silyl]propanoate.

Molecular Properties

Compound Nameethenyl 3-[butyl(phenyl)silyl]propanoate
PubChem CID174707661
Molecular FormulaC15H22O2Si
Molecular Weight262.43 g/mol
Exact Mass262.14
IUPAC Nameethenyl 3-[butyl(phenyl)silyl]propanoate
SMILESC=COC(=O)CC[SiH](CCCC)c1ccccc1
InChIInChI=1S/C15H22O2Si/c1-3-5-12-18(13-11-15(16)17-4-2)14-9-7-6-8-10-14/h4,6-10,18H,2-3,5,11-13H2,1H3
InChIKeyWKRRCWKGQXBTKP-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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ethenyl tetracontanoate
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CID 159135877
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CID 161122383
butyl-(3-methylpentyl)-phenylsilane
CID 174463559
ethanol;ethenyl butanoate
CID 87410894
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CID 10487918

Frequently Asked Questions

What is the IUPAC name of ethenyl 3-[butyl(phenyl)silyl]propanoate?
The IUPAC name of ethenyl 3-[butyl(phenyl)silyl]propanoate (CID 174707661) is ethenyl 3-[butyl(phenyl)silyl]propanoate.
What is the SMILES notation for ethenyl 3-[butyl(phenyl)silyl]propanoate?
The canonical SMILES for ethenyl 3-[butyl(phenyl)silyl]propanoate is C=COC(=O)CC[SiH](CCCC)c1ccccc1.
What is the InChIKey of ethenyl 3-[butyl(phenyl)silyl]propanoate?
The InChIKey is WKRRCWKGQXBTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-3-5-12-18(13-11-15(16)17-4-2)14-9-7-6-8-10-14/h4,6-10,18H,2-3,5,11-13H2,1H3.
What are the key properties of ethenyl 3-[butyl(phenyl)silyl]propanoate?
ethenyl 3-[butyl(phenyl)silyl]propanoate has a molecular weight of 262.43 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-[butyl(phenyl)silyl]propanoate is sourced from PubChem (CID 174707661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).