tert-butyl-dimethyl-[1-(thiiran-2-yl)prop-2-enoxy]silane

C11H22OSSi — CID 10421401

IUPACtert-butyl-dimethyl-[1-(thiiran-2-yl)prop-2-enoxy]silane
SMILESC=CC(O[Si](C)(C)C(C)(C)C)C1CS1
InChIInChI=1S/C11H22OSSi/c1-7-9(10-8-13-10)12-14(5,6)11(2,3)4/h7,9-10H,1,8H2,2-6H3
InChIKeyKTLKTUJIKWESIP-UHFFFAOYSA-N
MW230.45 g/mol
LogP3.68
Rot. Bonds4

About tert-butyl-dimethyl-[1-(thiiran-2-yl)prop-2-enoxy]silane

tert-butyl-dimethyl-[1-(thiiran-2-yl)prop-2-enoxy]silane (PubChem CID 10421401) has the molecular formula C11H22OSSi and a molecular weight of 230.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(thiiran-2-yl)prop-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-(thiiran-2-yl)prop-2-enoxy]silane
PubChem CID10421401
Molecular FormulaC11H22OSSi
Molecular Weight230.45 g/mol
Exact Mass230.12
IUPAC Nametert-butyl-dimethyl-[1-(thiiran-2-yl)prop-2-enoxy]silane
SMILESC=CC(O[Si](C)(C)C(C)(C)C)C1CS1
InChIInChI=1S/C11H22OSSi/c1-7-9(10-8-13-10)12-14(5,6)11(2,3)4/h7,9-10H,1,8H2,2-6H3
InChIKeyKTLKTUJIKWESIP-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.45
LogP ≤ 53.68
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-(thiiran-2-yl)prop-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[1-(thiiran-2-yl)prop-2-enoxy]silane (CID 10421401) is tert-butyl-dimethyl-[1-(thiiran-2-yl)prop-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[1-(thiiran-2-yl)prop-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[1-(thiiran-2-yl)prop-2-enoxy]silane is C=CC(O[Si](C)(C)C(C)(C)C)C1CS1.
What is the InChIKey of tert-butyl-dimethyl-[1-(thiiran-2-yl)prop-2-enoxy]silane?
The InChIKey is KTLKTUJIKWESIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSSi/c1-7-9(10-8-13-10)12-14(5,6)11(2,3)4/h7,9-10H,1,8H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-[1-(thiiran-2-yl)prop-2-enoxy]silane?
tert-butyl-dimethyl-[1-(thiiran-2-yl)prop-2-enoxy]silane has a molecular weight of 230.45 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-(thiiran-2-yl)prop-2-enoxy]silane is sourced from PubChem (CID 10421401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).