2-(trimethylsilylmethyl)prop-2-enyl methanesulfonate

C8H18O3SSi — CID 13096612

IUPAC2-(trimethylsilylmethyl)prop-2-enyl methanesulfonate
SMILESC=C(COS(C)(=O)=O)C[Si](C)(C)C
InChIInChI=1S/C8H18O3SSi/c1-8(7-13(3,4)5)6-11-12(2,9)10/h1,6-7H2,2-5H3
InChIKeySSVOQXVOICBSNK-UHFFFAOYSA-N
MW222.38 g/mol
LogP1.86
Rot. Bonds5

About 2-(trimethylsilylmethyl)prop-2-enyl methanesulfonate

2-(trimethylsilylmethyl)prop-2-enyl methanesulfonate (PubChem CID 13096612) has the molecular formula C8H18O3SSi and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-(trimethylsilylmethyl)prop-2-enyl methanesulfonate.

Molecular Properties

Compound Name2-(trimethylsilylmethyl)prop-2-enyl methanesulfonate
PubChem CID13096612
Molecular FormulaC8H18O3SSi
Molecular Weight222.38 g/mol
Exact Mass222.07
IUPAC Name2-(trimethylsilylmethyl)prop-2-enyl methanesulfonate
SMILESC=C(COS(C)(=O)=O)C[Si](C)(C)C
InChIInChI=1S/C8H18O3SSi/c1-8(7-13(3,4)5)6-11-12(2,9)10/h1,6-7H2,2-5H3
InChIKeySSVOQXVOICBSNK-UHFFFAOYSA-N
XLogP1.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(trimethylsilylmethyl)prop-2-enyl methanesulfonate?
The IUPAC name of 2-(trimethylsilylmethyl)prop-2-enyl methanesulfonate (CID 13096612) is 2-(trimethylsilylmethyl)prop-2-enyl methanesulfonate.
What is the SMILES notation for 2-(trimethylsilylmethyl)prop-2-enyl methanesulfonate?
The canonical SMILES for 2-(trimethylsilylmethyl)prop-2-enyl methanesulfonate is C=C(COS(C)(=O)=O)C[Si](C)(C)C.
What is the InChIKey of 2-(trimethylsilylmethyl)prop-2-enyl methanesulfonate?
The InChIKey is SSVOQXVOICBSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3SSi/c1-8(7-13(3,4)5)6-11-12(2,9)10/h1,6-7H2,2-5H3.
What are the key properties of 2-(trimethylsilylmethyl)prop-2-enyl methanesulfonate?
2-(trimethylsilylmethyl)prop-2-enyl methanesulfonate has a molecular weight of 222.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethylsilylmethyl)prop-2-enyl methanesulfonate is sourced from PubChem (CID 13096612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).