isocyanatomethyl(propan-2-yloxy)silane

C5H11NO2Si — CID 174176346

IUPACisocyanatomethyl(propan-2-yloxy)silane
SMILESCC(C)O[SiH2]CN=C=O
InChIInChI=1S/C5H11NO2Si/c1-5(2)8-9-4-6-3-7/h5H,4,9H2,1-2H3
InChIKeyORXYAQGKTZLZJF-UHFFFAOYSA-N
MW145.23 g/mol
LogP-0.21
Rot. Bonds4

About isocyanatomethyl(propan-2-yloxy)silane

isocyanatomethyl(propan-2-yloxy)silane (PubChem CID 174176346) has the molecular formula C5H11NO2Si and a molecular weight of 145.23 g/mol. Its IUPAC name is isocyanatomethyl(propan-2-yloxy)silane.

Molecular Properties

Compound Nameisocyanatomethyl(propan-2-yloxy)silane
PubChem CID174176346
Molecular FormulaC5H11NO2Si
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Nameisocyanatomethyl(propan-2-yloxy)silane
SMILESCC(C)O[SiH2]CN=C=O
InChIInChI=1S/C5H11NO2Si/c1-5(2)8-9-4-6-3-7/h5H,4,9H2,1-2H3
InChIKeyORXYAQGKTZLZJF-UHFFFAOYSA-N
XLogP-0.21
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 5-0.21
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

2,2-dimethoxyethoxy(isocyanatomethyl)silane
CID 154365360
diethoxymethyl(isocyanatomethyl)silane;silane
CID 174823634
isocyanatomethyl(triethoxymethyl)silane
CID 123310718
1-isocyanato-2-methoxy-3-methylbutane
CID 105428461
2-chloro-1-isocyanato-3-methylbutane
CID 57195138
3-isocyanatopropyl-methyl-di(propan-2-yloxy)silane
CID 87211201
[6-isocyanato-3-(3-isocyanatopropyl)hexan-2-yl]oxysilane
CID 173111967
2-fluoro-1-isocyanato-3-methylbutane
CID 84762307
1-isocyanato-4-methylpentane
CID 12705326
2-bromo-1-isocyanato-3-methylbutane
CID 57238037
1-(isocyanatomethyl)-2,5-dimethoxy-4-propan-2-yloxybenzene
CID 117380860
isocyanatoethane;silane
CID 174792418

Frequently Asked Questions

What is the IUPAC name of isocyanatomethyl(propan-2-yloxy)silane?
The IUPAC name of isocyanatomethyl(propan-2-yloxy)silane (CID 174176346) is isocyanatomethyl(propan-2-yloxy)silane.
What is the SMILES notation for isocyanatomethyl(propan-2-yloxy)silane?
The canonical SMILES for isocyanatomethyl(propan-2-yloxy)silane is CC(C)O[SiH2]CN=C=O.
What is the InChIKey of isocyanatomethyl(propan-2-yloxy)silane?
The InChIKey is ORXYAQGKTZLZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2Si/c1-5(2)8-9-4-6-3-7/h5H,4,9H2,1-2H3.
What are the key properties of isocyanatomethyl(propan-2-yloxy)silane?
isocyanatomethyl(propan-2-yloxy)silane has a molecular weight of 145.23 g/mol, XLogP of -0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanatomethyl(propan-2-yloxy)silane is sourced from PubChem (CID 174176346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).