2,4-diisocyanato-2,4,6,8,10,12-hexamethyl-6,8,10,12-tetrakis[(2-methylpropan-2-yl)oxy]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane

C24H54N2O12Si6 — CID 102211682

IUPAC2,4-diisocyanato-2,4,6,8,10,12-hexamethyl-6,8,10,12-tetrakis[(2-methylpropan-2-yl)oxy]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
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)O[Si](C)(OC(C)(C)C)O[Si](C)(OC(C)(C)C)O1
InChIInChI=1S/C24H54N2O12Si6/c1-21(2,3)29-41(15)34-39(13,25-19-27)33-40(14,26-20-28)35-42(16,30-22(4,5)6)37-44(18,32-24(10,11)12)38-43(17,36-41)31-23(7,8)9/h1-18H3
InChIKeyOCGMRJACYNXVFT-UHFFFAOYSA-N
MW731.21 g/mol
LogP5.44
Rot. Bonds6

About 2,4-diisocyanato-2,4,6,8,10,12-hexamethyl-6,8,10,12-tetrakis[(2-methylpropan-2-yl)oxy]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane

2,4-diisocyanato-2,4,6,8,10,12-hexamethyl-6,8,10,12-tetrakis[(2-methylpropan-2-yl)oxy]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane (PubChem CID 102211682) has the molecular formula C24H54N2O12Si6 and a molecular weight of 731.21 g/mol. Its IUPAC name is 2,4-diisocyanato-2,4,6,8,10,12-hexamethyl-6,8,10,12-tetrakis[(2-methylpropan-2-yl)oxy]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane.

Molecular Properties

Compound Name2,4-diisocyanato-2,4,6,8,10,12-hexamethyl-6,8,10,12-tetrakis[(2-methylpropan-2-yl)oxy]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
PubChem CID102211682
Molecular FormulaC24H54N2O12Si6
Molecular Weight731.21 g/mol
Exact Mass730.23
IUPAC Name2,4-diisocyanato-2,4,6,8,10,12-hexamethyl-6,8,10,12-tetrakis[(2-methylpropan-2-yl)oxy]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
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)O[Si](C)(OC(C)(C)C)O[Si](C)(OC(C)(C)C)O1
InChIInChI=1S/C24H54N2O12Si6/c1-21(2,3)29-41(15)34-39(13,25-19-27)33-40(14,26-20-28)35-42(16,30-22(4,5)6)37-44(18,32-24(10,11)12)38-43(17,36-41)31-23(7,8)9/h1-18H3
InChIKeyOCGMRJACYNXVFT-UHFFFAOYSA-N
XLogP5.44
TPSA151.16 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500731.21
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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-2,4,6,8,10,12-hexamethyl-6,8,10,12-tetrakis[(2-methylpropan-2-yl)oxy]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-diisocyanato-2,4,6,8,10,12-hexamethyl-6,8,10,12-tetrakis[(2-methylpropan-2-yl)oxy]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The IUPAC name of 2,4-diisocyanato-2,4,6,8,10,12-hexamethyl-6,8,10,12-tetrakis[(2-methylpropan-2-yl)oxy]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane (CID 102211682) is 2,4-diisocyanato-2,4,6,8,10,12-hexamethyl-6,8,10,12-tetrakis[(2-methylpropan-2-yl)oxy]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane.
What is the SMILES notation for 2,4-diisocyanato-2,4,6,8,10,12-hexamethyl-6,8,10,12-tetrakis[(2-methylpropan-2-yl)oxy]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The canonical SMILES for 2,4-diisocyanato-2,4,6,8,10,12-hexamethyl-6,8,10,12-tetrakis[(2-methylpropan-2-yl)oxy]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane 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)O[Si](C)(OC(C)(C)C)O[Si](C)(OC(C)(C)C)O1.
What is the InChIKey of 2,4-diisocyanato-2,4,6,8,10,12-hexamethyl-6,8,10,12-tetrakis[(2-methylpropan-2-yl)oxy]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The InChIKey is OCGMRJACYNXVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54N2O12Si6/c1-21(2,3)29-41(15)34-39(13,25-19-27)33-40(14,26-20-28)35-42(16,30-22(4,5)6)37-44(18,32-24(10,11)12)38-43(17,36-41)31-23(7,8)9/h1-18H3.
What are the key properties of 2,4-diisocyanato-2,4,6,8,10,12-hexamethyl-6,8,10,12-tetrakis[(2-methylpropan-2-yl)oxy]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
2,4-diisocyanato-2,4,6,8,10,12-hexamethyl-6,8,10,12-tetrakis[(2-methylpropan-2-yl)oxy]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane has a molecular weight of 731.21 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diisocyanato-2,4,6,8,10,12-hexamethyl-6,8,10,12-tetrakis[(2-methylpropan-2-yl)oxy]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane is sourced from PubChem (CID 102211682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).