chloro 2-trimethylsilylbenzoate

C10H13ClO2Si — CID 174392762

IUPACchloro 2-trimethylsilylbenzoate
SMILESC[Si](C)(C)c1ccccc1C(=O)OCl
InChIInChI=1S/C10H13ClO2Si/c1-14(2,3)9-7-5-4-6-8(9)10(12)13-11/h4-7H,1-3H3
InChIKeyYNRVXQZLFZMVLT-UHFFFAOYSA-N
MW228.75 g/mol
LogP2.54
Rot. Bonds2

About chloro 2-trimethylsilylbenzoate

chloro 2-trimethylsilylbenzoate (PubChem CID 174392762) has the molecular formula C10H13ClO2Si and a molecular weight of 228.75 g/mol. Its IUPAC name is chloro 2-trimethylsilylbenzoate.

Molecular Properties

Compound Namechloro 2-trimethylsilylbenzoate
PubChem CID174392762
Molecular FormulaC10H13ClO2Si
Molecular Weight228.75 g/mol
Exact Mass228.04
IUPAC Namechloro 2-trimethylsilylbenzoate
SMILESC[Si](C)(C)c1ccccc1C(=O)OCl
InChIInChI=1S/C10H13ClO2Si/c1-14(2,3)9-7-5-4-6-8(9)10(12)13-11/h4-7H,1-3H3
InChIKeyYNRVXQZLFZMVLT-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilyl 2-trimethylsilylbenzoate
CID 14439390
dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate
CID 24938477
(2-trimethylsilylphenyl) acetate
CID 13101762
(2-trimethylsilylphenyl) carbamate
CID 68854003
trimethyl-(2-trimethylsilylphenyl)silane
CID 519794
dichloro 2,3-dichlorobenzene-1,4-dicarboxylate
CID 18426984
1-[2-[[(2-acetylphenyl)-dimethylsilyl]-dimethylsilyl]phenyl]ethanone
CID 101417764
methyl 5-chloro-2-trimethylsilylbenzoate
CID 175229635
chloro acetate;chloro benzoate
CID 68991315
chloro 1-methylindole-3-carboxylate
CID 69132264
chloro 2-[ethoxycarbonyl(methyl)amino]benzoate
CID 174373388
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060

Frequently Asked Questions

What is the IUPAC name of chloro 2-trimethylsilylbenzoate?
The IUPAC name of chloro 2-trimethylsilylbenzoate (CID 174392762) is chloro 2-trimethylsilylbenzoate.
What is the SMILES notation for chloro 2-trimethylsilylbenzoate?
The canonical SMILES for chloro 2-trimethylsilylbenzoate is C[Si](C)(C)c1ccccc1C(=O)OCl.
What is the InChIKey of chloro 2-trimethylsilylbenzoate?
The InChIKey is YNRVXQZLFZMVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2Si/c1-14(2,3)9-7-5-4-6-8(9)10(12)13-11/h4-7H,1-3H3.
What are the key properties of chloro 2-trimethylsilylbenzoate?
chloro 2-trimethylsilylbenzoate has a molecular weight of 228.75 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2-trimethylsilylbenzoate is sourced from PubChem (CID 174392762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).