4-[[bis(3-cyanopropyl)-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]butanenitrile;methane

C24H59N3O3Si4 — CID 157111577

IUPAC4-[[bis(3-cyanopropyl)-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]butanenitrile;methane
SMILESC.C.C.C.C.C[Si](C)(C)O[Si](C)(CCCC#N)O[Si](CCCC#N)(CCCC#N)O[Si](C)(C)C
InChIInChI=1S/C19H39N3O3Si4.5CH4/c1-26(2,3)23-28(7,17-11-8-14-20)25-29(18-12-9-15-21,19-13-10-16-22)24-27(4,5)6;;;;;/h8-13,17-19H2,1-7H3;5*1H4
InChIKeyAGXLUBLEQBGIBE-UHFFFAOYSA-N
MW550.10 g/mol
LogP9.31
Rot. Bonds15

About 4-[[bis(3-cyanopropyl)-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]butanenitrile;methane

4-[[bis(3-cyanopropyl)-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]butanenitrile;methane (PubChem CID 157111577) has the molecular formula C24H59N3O3Si4 and a molecular weight of 550.10 g/mol. Its IUPAC name is 4-[[bis(3-cyanopropyl)-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]butanenitrile;methane.

Molecular Properties

Compound Name4-[[bis(3-cyanopropyl)-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]butanenitrile;methane
PubChem CID157111577
Molecular FormulaC24H59N3O3Si4
Molecular Weight550.10 g/mol
Exact Mass549.36
IUPAC Name4-[[bis(3-cyanopropyl)-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]butanenitrile;methane
SMILESC.C.C.C.C.C[Si](C)(C)O[Si](C)(CCCC#N)O[Si](CCCC#N)(CCCC#N)O[Si](C)(C)C
InChIInChI=1S/C19H39N3O3Si4.5CH4/c1-26(2,3)23-28(7,17-11-8-14-20)25-29(18-12-9-15-21,19-13-10-16-22)24-27(4,5)6;;;;;/h8-13,17-19H2,1-7H3;5*1H4
InChIKeyAGXLUBLEQBGIBE-UHFFFAOYSA-N
XLogP9.31
TPSA99.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.10
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile
CID 170685707
4-[dichloro(methyl)silyl]butanenitrile
CID 14479
hexadecyl-methyl-bis(trimethylsilyloxy)silane
CID 71356149
3-[methyl-(methyl-propyl-trimethylsilyloxysilyl)oxy-trimethylsilyloxysilyl]propan-1-amine
CID 123147792
6-[methyl-bis(trimethylsilyloxy)silyl]hexan-1-ol
CID 59029801
3-[propyl-bis(trimethylsilyloxy)silyl]propan-1-amine
CID 140893293
5-[chloro(dimethyl)silyl]pentanenitrile
CID 87524808
4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile
CID 10571600
methane;2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]butanedioic acid
CID 159367564
[dimethyl(trimethylsilyloxy)silyl]oxy-hexyl-methyl-trimethylsilyloxysilane
CID 58022647
[dimethyl-(methyl-pentyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-trimethylsilyloxysilane
CID 59892520
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl-methyl-bis(trimethylsilyloxy)silane
CID 59760729

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(3-cyanopropyl)-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]butanenitrile;methane?
The IUPAC name of 4-[[bis(3-cyanopropyl)-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]butanenitrile;methane (CID 157111577) is 4-[[bis(3-cyanopropyl)-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]butanenitrile;methane.
What is the SMILES notation for 4-[[bis(3-cyanopropyl)-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]butanenitrile;methane?
The canonical SMILES for 4-[[bis(3-cyanopropyl)-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]butanenitrile;methane is C.C.C.C.C.C[Si](C)(C)O[Si](C)(CCCC#N)O[Si](CCCC#N)(CCCC#N)O[Si](C)(C)C.
What is the InChIKey of 4-[[bis(3-cyanopropyl)-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]butanenitrile;methane?
The InChIKey is AGXLUBLEQBGIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O3Si4.5CH4/c1-26(2,3)23-28(7,17-11-8-14-20)25-29(18-12-9-15-21,19-13-10-16-22)24-27(4,5)6;;;;;/h8-13,17-19H2,1-7H3;5*1H4.
What are the key properties of 4-[[bis(3-cyanopropyl)-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]butanenitrile;methane?
4-[[bis(3-cyanopropyl)-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]butanenitrile;methane has a molecular weight of 550.10 g/mol, XLogP of 9.31, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(3-cyanopropyl)-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]butanenitrile;methane is sourced from PubChem (CID 157111577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).