isocyanic acid;methoxy(dimethyl)silane

C4H11NO2Si — CID 172706949

IUPACisocyanic acid;methoxy(dimethyl)silane
SMILESCO[SiH](C)C.N=C=O
InChIInChI=1S/C3H10OSi.CHNO/c1-4-5(2)3;2-1-3/h5H,1-3H3;2H
InChIKeyDSGHDTCNZRIIQG-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.52
Rot. Bonds1

About isocyanic acid;methoxy(dimethyl)silane

isocyanic acid;methoxy(dimethyl)silane (PubChem CID 172706949) has the molecular formula C4H11NO2Si and a molecular weight of 133.22 g/mol. Its IUPAC name is isocyanic acid;methoxy(dimethyl)silane.

Molecular Properties

Compound Nameisocyanic acid;methoxy(dimethyl)silane
PubChem CID172706949
Molecular FormulaC4H11NO2Si
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Nameisocyanic acid;methoxy(dimethyl)silane
SMILESCO[SiH](C)C.N=C=O
InChIInChI=1S/C3H10OSi.CHNO/c1-4-5(2)3;2-1-3/h5H,1-3H3;2H
InChIKeyDSGHDTCNZRIIQG-UHFFFAOYSA-N
XLogP0.52
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
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 isocyanic acid;methoxy(dimethyl)silane?
The IUPAC name of isocyanic acid;methoxy(dimethyl)silane (CID 172706949) is isocyanic acid;methoxy(dimethyl)silane.
What is the SMILES notation for isocyanic acid;methoxy(dimethyl)silane?
The canonical SMILES for isocyanic acid;methoxy(dimethyl)silane is CO[SiH](C)C.N=C=O.
What is the InChIKey of isocyanic acid;methoxy(dimethyl)silane?
The InChIKey is DSGHDTCNZRIIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10OSi.CHNO/c1-4-5(2)3;2-1-3/h5H,1-3H3;2H.
What are the key properties of isocyanic acid;methoxy(dimethyl)silane?
isocyanic acid;methoxy(dimethyl)silane has a molecular weight of 133.22 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;methoxy(dimethyl)silane is sourced from PubChem (CID 172706949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).