tert-butylazanium;tri(propan-2-yloxy)-sulfidosilane

C13H33NO3SSi — CID 139180214

IUPACtert-butylazanium;tri(propan-2-yloxy)-sulfidosilane
SMILESCC(C)(C)[NH3+].CC(C)O[Si]([S-])(OC(C)C)OC(C)C
InChIInChI=1S/C9H21O3SSi.C4H11N/c1-7(2)10-14(13,11-8(3)4)12-9(5)6;1-4(2,3)5/h7-9H,1-6H3;5H2,1-3H3/q-1;/p+1
InChIKeyPAYZIFIAPMSFFU-UHFFFAOYSA-O
MW311.56 g/mol
LogP2.27
Rot. Bonds6

About tert-butylazanium;tri(propan-2-yloxy)-sulfidosilane

tert-butylazanium;tri(propan-2-yloxy)-sulfidosilane (PubChem CID 139180214) has the molecular formula C13H33NO3SSi and a molecular weight of 311.56 g/mol. Its IUPAC name is tert-butylazanium;tri(propan-2-yloxy)-sulfidosilane.

Molecular Properties

Compound Nametert-butylazanium;tri(propan-2-yloxy)-sulfidosilane
PubChem CID139180214
Molecular FormulaC13H33NO3SSi
Molecular Weight311.56 g/mol
Exact Mass311.20
IUPAC Nametert-butylazanium;tri(propan-2-yloxy)-sulfidosilane
SMILESCC(C)(C)[NH3+].CC(C)O[Si]([S-])(OC(C)C)OC(C)C
InChIInChI=1S/C9H21O3SSi.C4H11N/c1-7(2)10-14(13,11-8(3)4)12-9(5)6;1-4(2,3)5/h7-9H,1-6H3;5H2,1-3H3/q-1;/p+1
InChIKeyPAYZIFIAPMSFFU-UHFFFAOYSA-O
XLogP2.27
TPSA55.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.56
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butylazanium;tri(propan-2-yloxy)-sulfidosilane?
The IUPAC name of tert-butylazanium;tri(propan-2-yloxy)-sulfidosilane (CID 139180214) is tert-butylazanium;tri(propan-2-yloxy)-sulfidosilane.
What is the SMILES notation for tert-butylazanium;tri(propan-2-yloxy)-sulfidosilane?
The canonical SMILES for tert-butylazanium;tri(propan-2-yloxy)-sulfidosilane is CC(C)(C)[NH3+].CC(C)O[Si]([S-])(OC(C)C)OC(C)C.
What is the InChIKey of tert-butylazanium;tri(propan-2-yloxy)-sulfidosilane?
The InChIKey is PAYZIFIAPMSFFU-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H21O3SSi.C4H11N/c1-7(2)10-14(13,11-8(3)4)12-9(5)6;1-4(2,3)5/h7-9H,1-6H3;5H2,1-3H3/q-1;/p+1.
What are the key properties of tert-butylazanium;tri(propan-2-yloxy)-sulfidosilane?
tert-butylazanium;tri(propan-2-yloxy)-sulfidosilane has a molecular weight of 311.56 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanium;tri(propan-2-yloxy)-sulfidosilane is sourced from PubChem (CID 139180214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).