chloro-(isocyanatomethyl)-dimethoxysilane

C4H8ClNO3Si — CID 22345874

IUPACchloro-(isocyanatomethyl)-dimethoxysilane
SMILESCO[Si](Cl)(CN=C=O)OC
InChIInChI=1S/C4H8ClNO3Si/c1-8-10(5,9-2)4-6-3-7/h4H2,1-2H3
InChIKeyCWIVHFGUOJPJJI-UHFFFAOYSA-N
MW181.65 g/mol
LogP0.33
Rot. Bonds4

About chloro-(isocyanatomethyl)-dimethoxysilane

chloro-(isocyanatomethyl)-dimethoxysilane (PubChem CID 22345874) has the molecular formula C4H8ClNO3Si and a molecular weight of 181.65 g/mol. Its IUPAC name is chloro-(isocyanatomethyl)-dimethoxysilane.

Molecular Properties

Compound Namechloro-(isocyanatomethyl)-dimethoxysilane
PubChem CID22345874
Molecular FormulaC4H8ClNO3Si
Molecular Weight181.65 g/mol
Exact Mass181.00
IUPAC Namechloro-(isocyanatomethyl)-dimethoxysilane
SMILESCO[Si](Cl)(CN=C=O)OC
InChIInChI=1S/C4H8ClNO3Si/c1-8-10(5,9-2)4-6-3-7/h4H2,1-2H3
InChIKeyCWIVHFGUOJPJJI-UHFFFAOYSA-N
XLogP0.33
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.65
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

hydrazine;2-isocyanatoethyl(trimethoxy)silane
CID 91003499
2-isocyanatoethyl-dimethoxy-methylsilane
CID 18949278
isocyanatoethane;silane
CID 174792418
17-isocyanatoheptadecyl(trimethoxy)silane
CID 87683791
16-isocyanatohexadecyl(trimethoxy)silane
CID 87683661
[2-isocyanatoethyl(dimethoxy)silyl]formaldehyde
CID 20719014
trichloro(2-isocyanatoethyl)silane
CID 154128519
chloro-(fluoromethyl)-dimethoxysilane
CID 150967946
8-isocyanatooctyl-dimethoxy-methylsilane
CID 141485857
ethoxy-(2-isocyanatoethyl)-dimethoxysilane
CID 87149340
butyl-(3-isocyanatopropyl)-dimethoxysilane
CID 140798796
isocyanatoethane;isocyanic acid
CID 87805421

Frequently Asked Questions

What is the IUPAC name of chloro-(isocyanatomethyl)-dimethoxysilane?
The IUPAC name of chloro-(isocyanatomethyl)-dimethoxysilane (CID 22345874) is chloro-(isocyanatomethyl)-dimethoxysilane.
What is the SMILES notation for chloro-(isocyanatomethyl)-dimethoxysilane?
The canonical SMILES for chloro-(isocyanatomethyl)-dimethoxysilane is CO[Si](Cl)(CN=C=O)OC.
What is the InChIKey of chloro-(isocyanatomethyl)-dimethoxysilane?
The InChIKey is CWIVHFGUOJPJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO3Si/c1-8-10(5,9-2)4-6-3-7/h4H2,1-2H3.
What are the key properties of chloro-(isocyanatomethyl)-dimethoxysilane?
chloro-(isocyanatomethyl)-dimethoxysilane has a molecular weight of 181.65 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(isocyanatomethyl)-dimethoxysilane is sourced from PubChem (CID 22345874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).