isocyanato-methoxy-propylsilane

C5H11NO2Si — CID 154064424

IUPACisocyanato-methoxy-propylsilane
SMILESCCC[SiH](N=C=O)OC
InChIInChI=1S/C5H11NO2Si/c1-3-4-9(8-2)6-5-7/h9H,3-4H2,1-2H3
InChIKeyFOTWKPFPKNGYNP-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.60
Rot. Bonds4

About isocyanato-methoxy-propylsilane

isocyanato-methoxy-propylsilane (PubChem CID 154064424) has the molecular formula C5H11NO2Si and a molecular weight of 145.23 g/mol. Its IUPAC name is isocyanato-methoxy-propylsilane.

Molecular Properties

Compound Nameisocyanato-methoxy-propylsilane
PubChem CID154064424
Molecular FormulaC5H11NO2Si
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Nameisocyanato-methoxy-propylsilane
SMILESCCC[SiH](N=C=O)OC
InChIInChI=1S/C5H11NO2Si/c1-3-4-9(8-2)6-5-7/h9H,3-4H2,1-2H3
InChIKeyFOTWKPFPKNGYNP-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of isocyanato-methoxy-propylsilane?
The IUPAC name of isocyanato-methoxy-propylsilane (CID 154064424) is isocyanato-methoxy-propylsilane.
What is the SMILES notation for isocyanato-methoxy-propylsilane?
The canonical SMILES for isocyanato-methoxy-propylsilane is CCC[SiH](N=C=O)OC.
What is the InChIKey of isocyanato-methoxy-propylsilane?
The InChIKey is FOTWKPFPKNGYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2Si/c1-3-4-9(8-2)6-5-7/h9H,3-4H2,1-2H3.
What are the key properties of isocyanato-methoxy-propylsilane?
isocyanato-methoxy-propylsilane has a molecular weight of 145.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanato-methoxy-propylsilane is sourced from PubChem (CID 154064424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).