4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride

C12H15ClO2Si — CID 23455511

IUPAC4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride
SMILESC=C[Si](C)(C)COc1ccc(C(=O)Cl)cc1
InChIInChI=1S/C12H15ClO2Si/c1-4-16(2,3)9-15-11-7-5-10(6-8-11)12(13)14/h4-8H,1,9H2,2-3H3
InChIKeyFRFDIWFQUAQTSA-UHFFFAOYSA-N
MW254.79 g/mol
LogP3.42
Rot. Bonds5

About 4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride

4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride (PubChem CID 23455511) has the molecular formula C12H15ClO2Si and a molecular weight of 254.79 g/mol. Its IUPAC name is 4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride.

Molecular Properties

Compound Name4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride
PubChem CID23455511
Molecular FormulaC12H15ClO2Si
Molecular Weight254.79 g/mol
Exact Mass254.05
IUPAC Name4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride
SMILESC=C[Si](C)(C)COc1ccc(C(=O)Cl)cc1
InChIInChI=1S/C12H15ClO2Si/c1-4-16(2,3)9-15-11-7-5-10(6-8-11)12(13)14/h4-8H,1,9H2,2-3H3
InChIKeyFRFDIWFQUAQTSA-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid
CID 54001895
ethenyl-[(4-isocyanatophenoxy)methyl]-dimethylsilane
CID 23455483
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride
CID 141339492
4-(4-methyl-3-oxopent-4-enoxy)benzoyl chloride
CID 58879296
2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate
CID 15789891
methyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate
CID 70600987
[4-(4-carbonochloridoylphenoxy)carbonylphenyl] 4-octoxybenzoate
CID 139600993
(4-carbonochloridoylphenyl) acetate
CID 2756254
3-(4-carbonochloridoylphenoxy)propyl 3-chloropropanoate
CID 59422894
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
methane;4-(2-piperidin-1-ylethoxy)benzoic acid;4-(2-piperidin-1-ylethoxy)benzoyl chloride
CID 161045120
4-pent-1-enoxybenzoyl chloride
CID 139792232

Frequently Asked Questions

What is the IUPAC name of 4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride?
The IUPAC name of 4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride (CID 23455511) is 4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride.
What is the SMILES notation for 4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride?
The canonical SMILES for 4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride is C=C[Si](C)(C)COc1ccc(C(=O)Cl)cc1.
What is the InChIKey of 4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride?
The InChIKey is FRFDIWFQUAQTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2Si/c1-4-16(2,3)9-15-11-7-5-10(6-8-11)12(13)14/h4-8H,1,9H2,2-3H3.
What are the key properties of 4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride?
4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride has a molecular weight of 254.79 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride is sourced from PubChem (CID 23455511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).