iodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate

C37H75BrI3NO10PSi2- — CID 162001290

IUPACiodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate
SMILESCC(C)(I)C#N.CCO[Si](CCCCCCOC(=O)C(C)(C)Br)(OCC)OCC.CCO[Si](CCCCCCOC(=O)C(C)(C)I)(OCC)OCC.[PH-]CI
InChIInChI=1S/C16H33BrO5Si.C16H33IO5Si.C4H6IN.CH3IP/c2*1-6-20-23(21-7-2,22-8-3)14-12-10-9-11-13-19-15(18)16(4,5)17;1-4(2,5)3-6;2-1-3/h2*6-14H2,1-5H3;1-2H3;3H,1H2/q;;;-1
InChIKeyYSGBHPFSXYHEDW-UHFFFAOYSA-N
MW1241.77 g/mol
LogP11.91
Rot. Bonds28

About iodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate

iodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate (PubChem CID 162001290) has the molecular formula C37H75BrI3NO10PSi2- and a molecular weight of 1241.77 g/mol. Its IUPAC name is iodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate.

Molecular Properties

Compound Nameiodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate
PubChem CID162001290
Molecular FormulaC37H75BrI3NO10PSi2-
Molecular Weight1241.77 g/mol
Exact Mass1240.10
IUPAC Nameiodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate
SMILESCC(C)(I)C#N.CCO[Si](CCCCCCOC(=O)C(C)(C)Br)(OCC)OCC.CCO[Si](CCCCCCOC(=O)C(C)(C)I)(OCC)OCC.[PH-]CI
InChIInChI=1S/C16H33BrO5Si.C16H33IO5Si.C4H6IN.CH3IP/c2*1-6-20-23(21-7-2,22-8-3)14-12-10-9-11-13-19-15(18)16(4,5)17;1-4(2,5)3-6;2-1-3/h2*6-14H2,1-5H3;1-2H3;3H,1H2/q;;;-1
InChIKeyYSGBHPFSXYHEDW-UHFFFAOYSA-N
XLogP11.91
TPSA131.77 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001241.77
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze iodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate with MolForge

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Related Compounds

4-triethoxysilylbutyl 2-bromo-2-methylpropanoate
CID 71424824
11-(3-triethoxysilylpropylsulfanyl)undecyl 2-bromo-2-methylpropanoate
CID 123688738
6-trimethoxysilylhexyl 2-iodo-2-methylpropanoate
CID 58280983
1-iodoethylbenzene;iodo(methyl)phosphane;2-iodo-2-methylpropanenitrile;6-trimethoxysilylhexyl 2-iodo-2-methylpropanoate
CID 160987870
undecyl 2-bromo-2-methylpropanoate
CID 87551125
octadecyl 2-bromo-2-methylpropanoate
CID 71310893
pent-4-enyl 2-iodo-2-methylpropanoate
CID 11129735
4-triethoxysilylbutyl propanoate
CID 141347796
butyl 2-iodo-2-methylpropanoate
CID 87865989
undec-10-enyl 2-bromo-2-methylpropanoate
CID 23113089
6-(2-methylprop-2-enoyloxy)hexyl 2-bromo-2-methylpropanoate
CID 59782884
CID 175569451
CID 175569451

Frequently Asked Questions

What is the IUPAC name of iodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate?
The IUPAC name of iodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate (CID 162001290) is iodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate.
What is the SMILES notation for iodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate?
The canonical SMILES for iodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate is CC(C)(I)C#N.CCO[Si](CCCCCCOC(=O)C(C)(C)Br)(OCC)OCC.CCO[Si](CCCCCCOC(=O)C(C)(C)I)(OCC)OCC.[PH-]CI.
What is the InChIKey of iodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate?
The InChIKey is YSGBHPFSXYHEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33BrO5Si.C16H33IO5Si.C4H6IN.CH3IP/c2*1-6-20-23(21-7-2,22-8-3)14-12-10-9-11-13-19-15(18)16(4,5)17;1-4(2,5)3-6;2-1-3/h2*6-14H2,1-5H3;1-2H3;3H,1H2/q;;;-1.
What are the key properties of iodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate?
iodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate has a molecular weight of 1241.77 g/mol, XLogP of 11.91, 28 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate is sourced from PubChem (CID 162001290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).