isocyanato-[isocyanato-bis[(2-methylpropan-2-yl)oxy]silyl]oxy-bis[(2-methylpropan-2-yl)oxy]silane

C18H36N2O7Si2 — CID 15853010

IUPACisocyanato-[isocyanato-bis[(2-methylpropan-2-yl)oxy]silyl]oxy-bis[(2-methylpropan-2-yl)oxy]silane
SMILESCC(C)(C)O[Si](N=C=O)(OC(C)(C)C)O[Si](N=C=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C18H36N2O7Si2/c1-15(2,3)23-28(19-13-21,24-16(4,5)6)27-29(20-14-22,25-17(7,8)9)26-18(10,11)12/h1-12H3
InChIKeyGLWPPPLLVFNHLJ-UHFFFAOYSA-N
MW448.67 g/mol
LogP3.81
Rot. Bonds8

About isocyanato-[isocyanato-bis[(2-methylpropan-2-yl)oxy]silyl]oxy-bis[(2-methylpropan-2-yl)oxy]silane

isocyanato-[isocyanato-bis[(2-methylpropan-2-yl)oxy]silyl]oxy-bis[(2-methylpropan-2-yl)oxy]silane (PubChem CID 15853010) has the molecular formula C18H36N2O7Si2 and a molecular weight of 448.67 g/mol. Its IUPAC name is isocyanato-[isocyanato-bis[(2-methylpropan-2-yl)oxy]silyl]oxy-bis[(2-methylpropan-2-yl)oxy]silane.

Molecular Properties

Compound Nameisocyanato-[isocyanato-bis[(2-methylpropan-2-yl)oxy]silyl]oxy-bis[(2-methylpropan-2-yl)oxy]silane
PubChem CID15853010
Molecular FormulaC18H36N2O7Si2
Molecular Weight448.67 g/mol
Exact Mass448.21
IUPAC Nameisocyanato-[isocyanato-bis[(2-methylpropan-2-yl)oxy]silyl]oxy-bis[(2-methylpropan-2-yl)oxy]silane
SMILESCC(C)(C)O[Si](N=C=O)(OC(C)(C)C)O[Si](N=C=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C18H36N2O7Si2/c1-15(2,3)23-28(19-13-21,24-16(4,5)6)27-29(20-14-22,25-17(7,8)9)26-18(10,11)12/h1-12H3
InChIKeyGLWPPPLLVFNHLJ-UHFFFAOYSA-N
XLogP3.81
TPSA105.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.67
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of isocyanato-[isocyanato-bis[(2-methylpropan-2-yl)oxy]silyl]oxy-bis[(2-methylpropan-2-yl)oxy]silane?
The IUPAC name of isocyanato-[isocyanato-bis[(2-methylpropan-2-yl)oxy]silyl]oxy-bis[(2-methylpropan-2-yl)oxy]silane (CID 15853010) is isocyanato-[isocyanato-bis[(2-methylpropan-2-yl)oxy]silyl]oxy-bis[(2-methylpropan-2-yl)oxy]silane.
What is the SMILES notation for isocyanato-[isocyanato-bis[(2-methylpropan-2-yl)oxy]silyl]oxy-bis[(2-methylpropan-2-yl)oxy]silane?
The canonical SMILES for isocyanato-[isocyanato-bis[(2-methylpropan-2-yl)oxy]silyl]oxy-bis[(2-methylpropan-2-yl)oxy]silane is CC(C)(C)O[Si](N=C=O)(OC(C)(C)C)O[Si](N=C=O)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of isocyanato-[isocyanato-bis[(2-methylpropan-2-yl)oxy]silyl]oxy-bis[(2-methylpropan-2-yl)oxy]silane?
The InChIKey is GLWPPPLLVFNHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O7Si2/c1-15(2,3)23-28(19-13-21,24-16(4,5)6)27-29(20-14-22,25-17(7,8)9)26-18(10,11)12/h1-12H3.
What are the key properties of isocyanato-[isocyanato-bis[(2-methylpropan-2-yl)oxy]silyl]oxy-bis[(2-methylpropan-2-yl)oxy]silane?
isocyanato-[isocyanato-bis[(2-methylpropan-2-yl)oxy]silyl]oxy-bis[(2-methylpropan-2-yl)oxy]silane has a molecular weight of 448.67 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanato-[isocyanato-bis[(2-methylpropan-2-yl)oxy]silyl]oxy-bis[(2-methylpropan-2-yl)oxy]silane is sourced from PubChem (CID 15853010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).