tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide

C15H24O5SSi — CID 162121800

IUPACtert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(S(C)(=O)=O)cc1.O=C=O
InChIInChI=1S/C14H24O3SSi.CO2/c1-14(2,3)19(5,6)17-11-12-7-9-13(10-8-12)18(4,15)16;2-1-3/h7-10H,11H2,1-6H3;
InChIKeyZHMVPAUROLEIMY-UHFFFAOYSA-N
MW344.51 g/mol
LogP3.03
Rot. Bonds4

About tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide

tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide (PubChem CID 162121800) has the molecular formula C15H24O5SSi and a molecular weight of 344.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide
PubChem CID162121800
Molecular FormulaC15H24O5SSi
Molecular Weight344.51 g/mol
Exact Mass344.11
IUPAC Nametert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(S(C)(=O)=O)cc1.O=C=O
InChIInChI=1S/C14H24O3SSi.CO2/c1-14(2,3)19(5,6)17-11-12-7-9-13(10-8-12)18(4,15)16;2-1-3/h7-10H,11H2,1-6H3;
InChIKeyZHMVPAUROLEIMY-UHFFFAOYSA-N
XLogP3.03
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide?
The IUPAC name of tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide (CID 162121800) is tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide.
What is the SMILES notation for tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide?
The canonical SMILES for tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide is CC(C)(C)[Si](C)(C)OCc1ccc(S(C)(=O)=O)cc1.O=C=O.
What is the InChIKey of tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide?
The InChIKey is ZHMVPAUROLEIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3SSi.CO2/c1-14(2,3)19(5,6)17-11-12-7-9-13(10-8-12)18(4,15)16;2-1-3/h7-10H,11H2,1-6H3;.
What are the key properties of tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide?
tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide has a molecular weight of 344.51 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide is sourced from PubChem (CID 162121800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).