2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide

C24H48N2O4Si2 — CID 160877263

IUPAC2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide
SMILESCCCC[Si](C)(C)OC(C)(C)O[Si](C)(C)CC(=O)NC1CC(C)(C)CC(C)(CN=C=O)C1
InChIInChI=1S/C24H48N2O4Si2/c1-11-12-13-31(7,8)29-23(4,5)30-32(9,10)16-21(28)26-20-14-22(2,3)17-24(6,15-20)18-25-19-27/h20H,11-18H2,1-10H3,(H,26,28)
InChIKeyKQMZHTVGQHGACW-UHFFFAOYSA-N
MW484.83 g/mol
LogP6.00
Rot. Bonds12

About 2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide

2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide (PubChem CID 160877263) has the molecular formula C24H48N2O4Si2 and a molecular weight of 484.83 g/mol. Its IUPAC name is 2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide
PubChem CID160877263
Molecular FormulaC24H48N2O4Si2
Molecular Weight484.83 g/mol
Exact Mass484.32
IUPAC Name2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide
SMILESCCCC[Si](C)(C)OC(C)(C)O[Si](C)(C)CC(=O)NC1CC(C)(C)CC(C)(CN=C=O)C1
InChIInChI=1S/C24H48N2O4Si2/c1-11-12-13-31(7,8)29-23(4,5)30-32(9,10)16-21(28)26-20-14-22(2,3)17-24(6,15-20)18-25-19-27/h20H,11-18H2,1-10H3,(H,26,28)
InChIKeyKQMZHTVGQHGACW-UHFFFAOYSA-N
XLogP6.00
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.83
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide?
The IUPAC name of 2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide (CID 160877263) is 2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide?
The canonical SMILES for 2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide is CCCC[Si](C)(C)OC(C)(C)O[Si](C)(C)CC(=O)NC1CC(C)(C)CC(C)(CN=C=O)C1.
What is the InChIKey of 2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide?
The InChIKey is KQMZHTVGQHGACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O4Si2/c1-11-12-13-31(7,8)29-23(4,5)30-32(9,10)16-21(28)26-20-14-22(2,3)17-24(6,15-20)18-25-19-27/h20H,11-18H2,1-10H3,(H,26,28).
What are the key properties of 2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide?
2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide has a molecular weight of 484.83 g/mol, XLogP of 6.00, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide is sourced from PubChem (CID 160877263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).