ditert-butyl-(dioxiran-3-yl)-methylsilane

C10H22O2Si — CID 141246033

IUPACditert-butyl-(dioxiran-3-yl)-methylsilane
SMILESCC(C)(C)[Si](C)(C1OO1)C(C)(C)C
InChIInChI=1S/C10H22O2Si/c1-9(2,3)13(7,8-11-12-8)10(4,5)6/h8H,1-7H3
InChIKeyPZUQXTZMDWZCHE-UHFFFAOYSA-N
MW202.37 g/mol
LogP3.49
Rot. Bonds1

About ditert-butyl-(dioxiran-3-yl)-methylsilane

ditert-butyl-(dioxiran-3-yl)-methylsilane (PubChem CID 141246033) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is ditert-butyl-(dioxiran-3-yl)-methylsilane.

Molecular Properties

Compound Nameditert-butyl-(dioxiran-3-yl)-methylsilane
PubChem CID141246033
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Nameditert-butyl-(dioxiran-3-yl)-methylsilane
SMILESCC(C)(C)[Si](C)(C1OO1)C(C)(C)C
InChIInChI=1S/C10H22O2Si/c1-9(2,3)13(7,8-11-12-8)10(4,5)6/h8H,1-7H3
InChIKeyPZUQXTZMDWZCHE-UHFFFAOYSA-N
XLogP3.49
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(2Z,4Z,7Z)-6-[tert-butyl(dimethyl)silyl]cycloocta-2,4,7-trien-1-yl]-dimethylsilane
CID 101039275
potassium tert-butyl-dimethyl-oxidosilane
CID 139799135
tert-butyl-[4-[tert-butyl(dimethyl)silyl]cyclohexyl]-dimethylsilane
CID 101272528
CID 136677760
CID 136677760
tert-butyl-dimethyl-[2,3,4-tris[tert-butyl(dimethyl)silyl]tetrasilet-1-yl]silane
CID 102383723
tris[tert-butyl(dimethyl)silyl]azanium
CID 173297681
tert-butyl-cyclopentyl-dimethylsilane
CID 58570155
tert-butyl-[(2R,3R)-1-tert-butyl-3-[tert-butyl(dimethyl)silyl]phosphiran-2-yl]-dimethylsilane
CID 15001525
tritert-butyl-[dichloro(methyl)silyl]silane
CID 101052307
dibromo-bis[ditert-butyl(methyl)silyl]silane
CID 11156337
ditert-butyl-methyl-propan-2-ylsilane
CID 140729295
N,N-bis[tert-butyl(dimethyl)silyl]acetamide
CID 87835784

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-(dioxiran-3-yl)-methylsilane?
The IUPAC name of ditert-butyl-(dioxiran-3-yl)-methylsilane (CID 141246033) is ditert-butyl-(dioxiran-3-yl)-methylsilane.
What is the SMILES notation for ditert-butyl-(dioxiran-3-yl)-methylsilane?
The canonical SMILES for ditert-butyl-(dioxiran-3-yl)-methylsilane is CC(C)(C)[Si](C)(C1OO1)C(C)(C)C.
What is the InChIKey of ditert-butyl-(dioxiran-3-yl)-methylsilane?
The InChIKey is PZUQXTZMDWZCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-9(2,3)13(7,8-11-12-8)10(4,5)6/h8H,1-7H3.
What are the key properties of ditert-butyl-(dioxiran-3-yl)-methylsilane?
ditert-butyl-(dioxiran-3-yl)-methylsilane has a molecular weight of 202.37 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(dioxiran-3-yl)-methylsilane is sourced from PubChem (CID 141246033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).