2-methylpentan-2-ylsilyl methanesulfonate

C7H18O3SSi — CID 174845745

IUPAC2-methylpentan-2-ylsilyl methanesulfonate
SMILESCCCC(C)(C)[SiH2]OS(C)(=O)=O
InChIInChI=1S/C7H18O3SSi/c1-5-6-7(2,3)12-10-11(4,8)9/h5-6,12H2,1-4H3
InChIKeyJBEIKNADQJUCQI-UHFFFAOYSA-N
MW210.37 g/mol
LogP1.04
Rot. Bonds5

About 2-methylpentan-2-ylsilyl methanesulfonate

2-methylpentan-2-ylsilyl methanesulfonate (PubChem CID 174845745) has the molecular formula C7H18O3SSi and a molecular weight of 210.37 g/mol. Its IUPAC name is 2-methylpentan-2-ylsilyl methanesulfonate.

Molecular Properties

Compound Name2-methylpentan-2-ylsilyl methanesulfonate
PubChem CID174845745
Molecular FormulaC7H18O3SSi
Molecular Weight210.37 g/mol
Exact Mass210.07
IUPAC Name2-methylpentan-2-ylsilyl methanesulfonate
SMILESCCCC(C)(C)[SiH2]OS(C)(=O)=O
InChIInChI=1S/C7H18O3SSi/c1-5-6-7(2,3)12-10-11(4,8)9/h5-6,12H2,1-4H3
InChIKeyJBEIKNADQJUCQI-UHFFFAOYSA-N
XLogP1.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 51.04
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 2-methylpentan-2-ylsilyl methanesulfonate?
The IUPAC name of 2-methylpentan-2-ylsilyl methanesulfonate (CID 174845745) is 2-methylpentan-2-ylsilyl methanesulfonate.
What is the SMILES notation for 2-methylpentan-2-ylsilyl methanesulfonate?
The canonical SMILES for 2-methylpentan-2-ylsilyl methanesulfonate is CCCC(C)(C)[SiH2]OS(C)(=O)=O.
What is the InChIKey of 2-methylpentan-2-ylsilyl methanesulfonate?
The InChIKey is JBEIKNADQJUCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O3SSi/c1-5-6-7(2,3)12-10-11(4,8)9/h5-6,12H2,1-4H3.
What are the key properties of 2-methylpentan-2-ylsilyl methanesulfonate?
2-methylpentan-2-ylsilyl methanesulfonate has a molecular weight of 210.37 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-2-ylsilyl methanesulfonate is sourced from PubChem (CID 174845745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).