3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2,4-dimethylbenzenesulfonyl chloride

C14H22Cl2O3SSi — CID 167735437

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2,4-dimethylbenzenesulfonyl chloride
SMILESCc1cc(Cl)c(S(=O)(=O)Cl)c(C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H22Cl2O3SSi/c1-9-8-11(15)13(20(16,17)18)10(2)12(9)19-21(6,7)14(3,4)5/h8H,1-7H3
InChIKeyFIPTUEOSLJMQQM-UHFFFAOYSA-N
MW369.39 g/mol
LogP5.27
Rot. Bonds3

About 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2,4-dimethylbenzenesulfonyl chloride

3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2,4-dimethylbenzenesulfonyl chloride (PubChem CID 167735437) has the molecular formula C14H22Cl2O3SSi and a molecular weight of 369.39 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2,4-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2,4-dimethylbenzenesulfonyl chloride
PubChem CID167735437
Molecular FormulaC14H22Cl2O3SSi
Molecular Weight369.39 g/mol
Exact Mass368.04
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2,4-dimethylbenzenesulfonyl chloride
SMILESCc1cc(Cl)c(S(=O)(=O)Cl)c(C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H22Cl2O3SSi/c1-9-8-11(15)13(20(16,17)18)10(2)12(9)19-21(6,7)14(3,4)5/h8H,1-7H3
InChIKeyFIPTUEOSLJMQQM-UHFFFAOYSA-N
XLogP5.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.39
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2,4-dimethylbenzenesulfonyl chloride?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2,4-dimethylbenzenesulfonyl chloride (CID 167735437) is 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2,4-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2,4-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2,4-dimethylbenzenesulfonyl chloride is Cc1cc(Cl)c(S(=O)(=O)Cl)c(C)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2,4-dimethylbenzenesulfonyl chloride?
The InChIKey is FIPTUEOSLJMQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2O3SSi/c1-9-8-11(15)13(20(16,17)18)10(2)12(9)19-21(6,7)14(3,4)5/h8H,1-7H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2,4-dimethylbenzenesulfonyl chloride?
3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2,4-dimethylbenzenesulfonyl chloride has a molecular weight of 369.39 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2,4-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 167735437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).