2,4-diisocyanato-2,4,6,8-tetramethyl-6,8-bis[(2-methylpropan-2-yl)oxy]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C14H30N2O8Si4 — CID 102211680

IUPAC2,4-diisocyanato-2,4,6,8-tetramethyl-6,8-bis[(2-methylpropan-2-yl)oxy]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCC(C)(C)O[Si]1(C)O[Si](C)(N=C=O)O[Si](C)(N=C=O)O[Si](C)(OC(C)(C)C)O1
InChIInChI=1S/C14H30N2O8Si4/c1-13(2,3)19-27(9)22-25(7,15-11-17)21-26(8,16-12-18)23-28(10,24-27)20-14(4,5)6/h1-10H3
InChIKeyJOBIWWZHISJDMX-UHFFFAOYSA-N
MW466.74 g/mol
LogP2.64
Rot. Bonds4

About 2,4-diisocyanato-2,4,6,8-tetramethyl-6,8-bis[(2-methylpropan-2-yl)oxy]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,4-diisocyanato-2,4,6,8-tetramethyl-6,8-bis[(2-methylpropan-2-yl)oxy]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 102211680) has the molecular formula C14H30N2O8Si4 and a molecular weight of 466.74 g/mol. Its IUPAC name is 2,4-diisocyanato-2,4,6,8-tetramethyl-6,8-bis[(2-methylpropan-2-yl)oxy]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,4-diisocyanato-2,4,6,8-tetramethyl-6,8-bis[(2-methylpropan-2-yl)oxy]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID102211680
Molecular FormulaC14H30N2O8Si4
Molecular Weight466.74 g/mol
Exact Mass466.11
IUPAC Name2,4-diisocyanato-2,4,6,8-tetramethyl-6,8-bis[(2-methylpropan-2-yl)oxy]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCC(C)(C)O[Si]1(C)O[Si](C)(N=C=O)O[Si](C)(N=C=O)O[Si](C)(OC(C)(C)C)O1
InChIInChI=1S/C14H30N2O8Si4/c1-13(2,3)19-27(9)22-25(7,15-11-17)21-26(8,16-12-18)23-28(10,24-27)20-14(4,5)6/h1-10H3
InChIKeyJOBIWWZHISJDMX-UHFFFAOYSA-N
XLogP2.64
TPSA114.24 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.74
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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'}

Analyze 2,4-diisocyanato-2,4,6,8-tetramethyl-6,8-bis[(2-methylpropan-2-yl)oxy]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-diisocyanato-2,4,6,8-tetramethyl-6,8-bis[(2-methylpropan-2-yl)oxy]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,4-diisocyanato-2,4,6,8-tetramethyl-6,8-bis[(2-methylpropan-2-yl)oxy]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 102211680) is 2,4-diisocyanato-2,4,6,8-tetramethyl-6,8-bis[(2-methylpropan-2-yl)oxy]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,4-diisocyanato-2,4,6,8-tetramethyl-6,8-bis[(2-methylpropan-2-yl)oxy]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,4-diisocyanato-2,4,6,8-tetramethyl-6,8-bis[(2-methylpropan-2-yl)oxy]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CC(C)(C)O[Si]1(C)O[Si](C)(N=C=O)O[Si](C)(N=C=O)O[Si](C)(OC(C)(C)C)O1.
What is the InChIKey of 2,4-diisocyanato-2,4,6,8-tetramethyl-6,8-bis[(2-methylpropan-2-yl)oxy]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is JOBIWWZHISJDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O8Si4/c1-13(2,3)19-27(9)22-25(7,15-11-17)21-26(8,16-12-18)23-28(10,24-27)20-14(4,5)6/h1-10H3.
What are the key properties of 2,4-diisocyanato-2,4,6,8-tetramethyl-6,8-bis[(2-methylpropan-2-yl)oxy]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,4-diisocyanato-2,4,6,8-tetramethyl-6,8-bis[(2-methylpropan-2-yl)oxy]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 466.74 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diisocyanato-2,4,6,8-tetramethyl-6,8-bis[(2-methylpropan-2-yl)oxy]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 102211680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).