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

C12H24N2O5Si2 — CID 15853005

IUPACisocyanato-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane
SMILESCC(C)(C)O[Si](C)(N=C=O)O[Si](C)(N=C=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O5Si2/c1-11(2,3)17-20(7,13-9-15)19-21(8,14-10-16)18-12(4,5)6/h1-8H3
InChIKeyMEELSKFFBHXFEQ-UHFFFAOYSA-N
MW332.51 g/mol
LogP2.44
Rot. Bonds6

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

isocyanato-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane (PubChem CID 15853005) has the molecular formula C12H24N2O5Si2 and a molecular weight of 332.51 g/mol. Its IUPAC name is isocyanato-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane.

Molecular Properties

Compound Nameisocyanato-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane
PubChem CID15853005
Molecular FormulaC12H24N2O5Si2
Molecular Weight332.51 g/mol
Exact Mass332.12
IUPAC Nameisocyanato-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane
SMILESCC(C)(C)O[Si](C)(N=C=O)O[Si](C)(N=C=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O5Si2/c1-11(2,3)17-20(7,13-9-15)19-21(8,14-10-16)18-12(4,5)6/h1-8H3
InChIKeyMEELSKFFBHXFEQ-UHFFFAOYSA-N
XLogP2.44
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane?
The IUPAC name of isocyanato-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane (CID 15853005) is isocyanato-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane.
What is the SMILES notation for isocyanato-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane?
The canonical SMILES for isocyanato-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane is CC(C)(C)O[Si](C)(N=C=O)O[Si](C)(N=C=O)OC(C)(C)C.
What is the InChIKey of isocyanato-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane?
The InChIKey is MEELSKFFBHXFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5Si2/c1-11(2,3)17-20(7,13-9-15)19-21(8,14-10-16)18-12(4,5)6/h1-8H3.
What are the key properties of isocyanato-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane?
isocyanato-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane has a molecular weight of 332.51 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanato-[isocyanato-methyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-methyl-[(2-methylpropan-2-yl)oxy]silane is sourced from PubChem (CID 15853005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).