1-[dimethyl-tris[[dimethyl(1-methylsulfonyloxypropyl)silyl]oxy]silyloxysilyl]propyl methanesulfonate

C24H60O16S4Si5 — CID 18457505

IUPAC1-[dimethyl-tris[[dimethyl(1-methylsulfonyloxypropyl)silyl]oxy]silyloxysilyl]propyl methanesulfonate
SMILESCCC(OS(C)(=O)=O)[Si](C)(C)O[Si](O[Si](C)(C)C(CC)OS(C)(=O)=O)(O[Si](C)(C)C(CC)OS(C)(=O)=O)O[Si](C)(C)C(CC)OS(C)(=O)=O
InChIInChI=1S/C24H60O16S4Si5/c1-17-21(33-41(5,25)26)45(9,10)37-49(38-46(11,12)22(18-2)34-42(6,27)28,39-47(13,14)23(19-3)35-43(7,29)30)40-48(15,16)24(20-4)36-44(8,31)32/h21-24H,17-20H2,1-16H3
InChIKeyCVIMOUKBJURKMS-UHFFFAOYSA-N
MW873.43 g/mol
LogP3.48
Rot. Bonds24

About 1-[dimethyl-tris[[dimethyl(1-methylsulfonyloxypropyl)silyl]oxy]silyloxysilyl]propyl methanesulfonate

1-[dimethyl-tris[[dimethyl(1-methylsulfonyloxypropyl)silyl]oxy]silyloxysilyl]propyl methanesulfonate (PubChem CID 18457505) has the molecular formula C24H60O16S4Si5 and a molecular weight of 873.43 g/mol. Its IUPAC name is 1-[dimethyl-tris[[dimethyl(1-methylsulfonyloxypropyl)silyl]oxy]silyloxysilyl]propyl methanesulfonate.

Molecular Properties

Compound Name1-[dimethyl-tris[[dimethyl(1-methylsulfonyloxypropyl)silyl]oxy]silyloxysilyl]propyl methanesulfonate
PubChem CID18457505
Molecular FormulaC24H60O16S4Si5
Molecular Weight873.43 g/mol
Exact Mass872.16
IUPAC Name1-[dimethyl-tris[[dimethyl(1-methylsulfonyloxypropyl)silyl]oxy]silyloxysilyl]propyl methanesulfonate
SMILESCCC(OS(C)(=O)=O)[Si](C)(C)O[Si](O[Si](C)(C)C(CC)OS(C)(=O)=O)(O[Si](C)(C)C(CC)OS(C)(=O)=O)O[Si](C)(C)C(CC)OS(C)(=O)=O
InChIInChI=1S/C24H60O16S4Si5/c1-17-21(33-41(5,25)26)45(9,10)37-49(38-46(11,12)22(18-2)34-42(6,27)28,39-47(13,14)23(19-3)35-43(7,29)30)40-48(15,16)24(20-4)36-44(8,31)32/h21-24H,17-20H2,1-16H3
InChIKeyCVIMOUKBJURKMS-UHFFFAOYSA-N
XLogP3.48
TPSA210.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[dimethyl-tris[[dimethyl(1-methylsulfonyloxypropyl)silyl]oxy]silyloxysilyl]propyl methanesulfonate?
The IUPAC name of 1-[dimethyl-tris[[dimethyl(1-methylsulfonyloxypropyl)silyl]oxy]silyloxysilyl]propyl methanesulfonate (CID 18457505) is 1-[dimethyl-tris[[dimethyl(1-methylsulfonyloxypropyl)silyl]oxy]silyloxysilyl]propyl methanesulfonate.
What is the SMILES notation for 1-[dimethyl-tris[[dimethyl(1-methylsulfonyloxypropyl)silyl]oxy]silyloxysilyl]propyl methanesulfonate?
The canonical SMILES for 1-[dimethyl-tris[[dimethyl(1-methylsulfonyloxypropyl)silyl]oxy]silyloxysilyl]propyl methanesulfonate is CCC(OS(C)(=O)=O)[Si](C)(C)O[Si](O[Si](C)(C)C(CC)OS(C)(=O)=O)(O[Si](C)(C)C(CC)OS(C)(=O)=O)O[Si](C)(C)C(CC)OS(C)(=O)=O.
What is the InChIKey of 1-[dimethyl-tris[[dimethyl(1-methylsulfonyloxypropyl)silyl]oxy]silyloxysilyl]propyl methanesulfonate?
The InChIKey is CVIMOUKBJURKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H60O16S4Si5/c1-17-21(33-41(5,25)26)45(9,10)37-49(38-46(11,12)22(18-2)34-42(6,27)28,39-47(13,14)23(19-3)35-43(7,29)30)40-48(15,16)24(20-4)36-44(8,31)32/h21-24H,17-20H2,1-16H3.
What are the key properties of 1-[dimethyl-tris[[dimethyl(1-methylsulfonyloxypropyl)silyl]oxy]silyloxysilyl]propyl methanesulfonate?
1-[dimethyl-tris[[dimethyl(1-methylsulfonyloxypropyl)silyl]oxy]silyloxysilyl]propyl methanesulfonate has a molecular weight of 873.43 g/mol, XLogP of 3.48, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethyl-tris[[dimethyl(1-methylsulfonyloxypropyl)silyl]oxy]silyloxysilyl]propyl methanesulfonate is sourced from PubChem (CID 18457505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).