trimethyl-[2-(2-methylbut-3-en-2-ylsulfonyl)ethyl]silane

C10H22O2SSi — CID 45034584

IUPACtrimethyl-[2-(2-methylbut-3-en-2-ylsulfonyl)ethyl]silane
SMILESC=CC(C)(C)S(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C10H22O2SSi/c1-7-10(2,3)13(11,12)8-9-14(4,5)6/h7H,1,8-9H2,2-6H3
InChIKeySYFAUTLKYKUFQR-UHFFFAOYSA-N
MW234.44 g/mol
LogP2.70
Rot. Bonds5

About trimethyl-[2-(2-methylbut-3-en-2-ylsulfonyl)ethyl]silane

trimethyl-[2-(2-methylbut-3-en-2-ylsulfonyl)ethyl]silane (PubChem CID 45034584) has the molecular formula C10H22O2SSi and a molecular weight of 234.44 g/mol. Its IUPAC name is trimethyl-[2-(2-methylbut-3-en-2-ylsulfonyl)ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(2-methylbut-3-en-2-ylsulfonyl)ethyl]silane
PubChem CID45034584
Molecular FormulaC10H22O2SSi
Molecular Weight234.44 g/mol
Exact Mass234.11
IUPAC Nametrimethyl-[2-(2-methylbut-3-en-2-ylsulfonyl)ethyl]silane
SMILESC=CC(C)(C)S(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C10H22O2SSi/c1-7-10(2,3)13(11,12)8-9-14(4,5)6/h7H,1,8-9H2,2-6H3
InChIKeySYFAUTLKYKUFQR-UHFFFAOYSA-N
XLogP2.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.44
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2-methylbut-3-en-2-ylsulfonyl)ethyl]silane?
The IUPAC name of trimethyl-[2-(2-methylbut-3-en-2-ylsulfonyl)ethyl]silane (CID 45034584) is trimethyl-[2-(2-methylbut-3-en-2-ylsulfonyl)ethyl]silane.
What is the SMILES notation for trimethyl-[2-(2-methylbut-3-en-2-ylsulfonyl)ethyl]silane?
The canonical SMILES for trimethyl-[2-(2-methylbut-3-en-2-ylsulfonyl)ethyl]silane is C=CC(C)(C)S(=O)(=O)CC[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-(2-methylbut-3-en-2-ylsulfonyl)ethyl]silane?
The InChIKey is SYFAUTLKYKUFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2SSi/c1-7-10(2,3)13(11,12)8-9-14(4,5)6/h7H,1,8-9H2,2-6H3.
What are the key properties of trimethyl-[2-(2-methylbut-3-en-2-ylsulfonyl)ethyl]silane?
trimethyl-[2-(2-methylbut-3-en-2-ylsulfonyl)ethyl]silane has a molecular weight of 234.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-methylbut-3-en-2-ylsulfonyl)ethyl]silane is sourced from PubChem (CID 45034584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).