isocyanic acid;methoxy(propyl)silane

C5H13NO2Si — CID 172824250

IUPACisocyanic acid;methoxy(propyl)silane
SMILESCCC[SiH2]OC.N=C=O
InChIInChI=1S/C4H12OSi.CHNO/c1-3-4-6-5-2;2-1-3/h3-4,6H2,1-2H3;2H
InChIKeyUQJKFJHAKDZHPM-UHFFFAOYSA-N
MW147.25 g/mol
LogP0.45
Rot. Bonds3

About isocyanic acid;methoxy(propyl)silane

isocyanic acid;methoxy(propyl)silane (PubChem CID 172824250) has the molecular formula C5H13NO2Si and a molecular weight of 147.25 g/mol. Its IUPAC name is isocyanic acid;methoxy(propyl)silane.

Molecular Properties

Compound Nameisocyanic acid;methoxy(propyl)silane
PubChem CID172824250
Molecular FormulaC5H13NO2Si
Molecular Weight147.25 g/mol
Exact Mass147.07
IUPAC Nameisocyanic acid;methoxy(propyl)silane
SMILESCCC[SiH2]OC.N=C=O
InChIInChI=1S/C4H12OSi.CHNO/c1-3-4-6-5-2;2-1-3/h3-4,6H2,1-2H3;2H
InChIKeyUQJKFJHAKDZHPM-UHFFFAOYSA-N
XLogP0.45
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of isocyanic acid;methoxy(propyl)silane?
The IUPAC name of isocyanic acid;methoxy(propyl)silane (CID 172824250) is isocyanic acid;methoxy(propyl)silane.
What is the SMILES notation for isocyanic acid;methoxy(propyl)silane?
The canonical SMILES for isocyanic acid;methoxy(propyl)silane is CCC[SiH2]OC.N=C=O.
What is the InChIKey of isocyanic acid;methoxy(propyl)silane?
The InChIKey is UQJKFJHAKDZHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12OSi.CHNO/c1-3-4-6-5-2;2-1-3/h3-4,6H2,1-2H3;2H.
What are the key properties of isocyanic acid;methoxy(propyl)silane?
isocyanic acid;methoxy(propyl)silane has a molecular weight of 147.25 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;methoxy(propyl)silane is sourced from PubChem (CID 172824250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).