isocyanatomethyl(dimethyl)silane

C4H9NOSi — CID 123789634

IUPACisocyanatomethyl(dimethyl)silane
SMILESC[SiH](C)CN=C=O
InChIInChI=1S/C4H9NOSi/c1-7(2)4-5-3-6/h7H,4H2,1-2H3
InChIKeyJGKXCNQFBWHEDR-UHFFFAOYSA-N
MW115.21 g/mol
LogP0.35
Rot. Bonds2

About isocyanatomethyl(dimethyl)silane

isocyanatomethyl(dimethyl)silane (PubChem CID 123789634) has the molecular formula C4H9NOSi and a molecular weight of 115.21 g/mol. Its IUPAC name is isocyanatomethyl(dimethyl)silane.

Molecular Properties

Compound Nameisocyanatomethyl(dimethyl)silane
PubChem CID123789634
Molecular FormulaC4H9NOSi
Molecular Weight115.21 g/mol
Exact Mass115.05
IUPAC Nameisocyanatomethyl(dimethyl)silane
SMILESC[SiH](C)CN=C=O
InChIInChI=1S/C4H9NOSi/c1-7(2)4-5-3-6/h7H,4H2,1-2H3
InChIKeyJGKXCNQFBWHEDR-UHFFFAOYSA-N
XLogP0.35
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.21
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

isocyanatoethane;silane
CID 174792418
2-isocyanatoethoxy(dimethyl)silane
CID 123737598
isocyanatoethane;isocyanic acid
CID 87805421
1-chloro-3-isocyanato-2,2-dimethylpropane
CID 19819112
1,2-diisocyanatoethane;hydrazine
CID 155127889
isocyanatomethanol
CID 22134319
CID 150210329
CID 150210329
carbonic acid;isocyanatoethane
CID 135150871
carbonic acid;isocyanatoethane
CID 159798113
1,6-diisocyanatohexane;1,5-diisocyanatopentane
CID 23110384
1,10-diisocyanatodecane;1,12-diisocyanatododecane
CID 126503786
diisocyanatomethane;methanediol
CID 91356250

Frequently Asked Questions

What is the IUPAC name of isocyanatomethyl(dimethyl)silane?
The IUPAC name of isocyanatomethyl(dimethyl)silane (CID 123789634) is isocyanatomethyl(dimethyl)silane.
What is the SMILES notation for isocyanatomethyl(dimethyl)silane?
The canonical SMILES for isocyanatomethyl(dimethyl)silane is C[SiH](C)CN=C=O.
What is the InChIKey of isocyanatomethyl(dimethyl)silane?
The InChIKey is JGKXCNQFBWHEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOSi/c1-7(2)4-5-3-6/h7H,4H2,1-2H3.
What are the key properties of isocyanatomethyl(dimethyl)silane?
isocyanatomethyl(dimethyl)silane has a molecular weight of 115.21 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanatomethyl(dimethyl)silane is sourced from PubChem (CID 123789634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).