butyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane

C12H27NO2Si2 — CID 90222550

IUPACbutyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCN=C=O
InChIInChI=1S/C12H27NO2Si2/c1-6-7-10-16(2,3)15-17(4,5)11-8-9-13-12-14/h6-11H2,1-5H3
InChIKeyCXTLNVQKJGVNCO-UHFFFAOYSA-N
MW273.52 g/mol
LogP3.94
Rot. Bonds9

About butyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane

butyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane (PubChem CID 90222550) has the molecular formula C12H27NO2Si2 and a molecular weight of 273.52 g/mol. Its IUPAC name is butyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Namebutyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane
PubChem CID90222550
Molecular FormulaC12H27NO2Si2
Molecular Weight273.52 g/mol
Exact Mass273.16
IUPAC Namebutyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCN=C=O
InChIInChI=1S/C12H27NO2Si2/c1-6-7-10-16(2,3)15-17(4,5)11-8-9-13-12-14/h6-11H2,1-5H3
InChIKeyCXTLNVQKJGVNCO-UHFFFAOYSA-N
XLogP3.94
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
CID 101056715
butyl-(3-isocyanatopropyl)-dimethoxysilane
CID 140798796
1-isocyanatopentane;isocyanic acid
CID 88728305
1-isocyanatodotriacontane
CID 87857577
butyl-[butyl(dimethyl)silyl]oxy-dimethylsilane;diiodovanadium
CID 158343933
decyl-[hexyl(dimethyl)silyl]oxy-dimethylsilane
CID 139697813
[dimethyl(tricosyl)silyl]oxy-dimethyl-tricosylsilane
CID 141102746
heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane
CID 12566776
[diethoxy(3-isocyanatopropyl)silyl] triethyl silicate
CID 87101175
3-isocyanatopropyl-methyl-di(propan-2-yloxy)silane
CID 87211201
3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane
CID 15606908
butyl-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilane
CID 59431043

Frequently Asked Questions

What is the IUPAC name of butyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane?
The IUPAC name of butyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane (CID 90222550) is butyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for butyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane?
The canonical SMILES for butyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane is CCCC[Si](C)(C)O[Si](C)(C)CCCN=C=O.
What is the InChIKey of butyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane?
The InChIKey is CXTLNVQKJGVNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2Si2/c1-6-7-10-16(2,3)15-17(4,5)11-8-9-13-12-14/h6-11H2,1-5H3.
What are the key properties of butyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane?
butyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane has a molecular weight of 273.52 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 90222550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).