isocyanato(propyl)silane

C4H9NOSi — CID 154061073

IUPACisocyanato(propyl)silane
SMILESCCC[SiH2]N=C=O
InChIInChI=1S/C4H9NOSi/c1-2-3-7-5-4-6/h2-3,7H2,1H3
InChIKeyPQOLEOFELCDHIW-UHFFFAOYSA-N
MW115.21 g/mol
LogP0.23
Rot. Bonds3

About isocyanato(propyl)silane

isocyanato(propyl)silane (PubChem CID 154061073) has the molecular formula C4H9NOSi and a molecular weight of 115.21 g/mol. Its IUPAC name is isocyanato(propyl)silane.

Molecular Properties

Compound Nameisocyanato(propyl)silane
PubChem CID154061073
Molecular FormulaC4H9NOSi
Molecular Weight115.21 g/mol
Exact Mass115.05
IUPAC Nameisocyanato(propyl)silane
SMILESCCC[SiH2]N=C=O
InChIInChI=1S/C4H9NOSi/c1-2-3-7-5-4-6/h2-3,7H2,1H3
InChIKeyPQOLEOFELCDHIW-UHFFFAOYSA-N
XLogP0.23
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.21
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of isocyanato(propyl)silane?
The IUPAC name of isocyanato(propyl)silane (CID 154061073) is isocyanato(propyl)silane.
What is the SMILES notation for isocyanato(propyl)silane?
The canonical SMILES for isocyanato(propyl)silane is CCC[SiH2]N=C=O.
What is the InChIKey of isocyanato(propyl)silane?
The InChIKey is PQOLEOFELCDHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOSi/c1-2-3-7-5-4-6/h2-3,7H2,1H3.
What are the key properties of isocyanato(propyl)silane?
isocyanato(propyl)silane has a molecular weight of 115.21 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanato(propyl)silane is sourced from PubChem (CID 154061073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).