dimethoxy(dimethyl)silane;isocyanic acid

C5H13NO3Si — CID 87261467

IUPACdimethoxy(dimethyl)silane;isocyanic acid
SMILESCO[Si](C)(C)OC.N=C=O
InChIInChI=1S/C4H12O2Si.CHNO/c1-5-7(3,4)6-2;2-1-3/h1-4H3;2H
InChIKeyCXYPOKFCEQRLOS-UHFFFAOYSA-N
MW163.25 g/mol
LogP0.88
Rot. Bonds2

About dimethoxy(dimethyl)silane;isocyanic acid

dimethoxy(dimethyl)silane;isocyanic acid (PubChem CID 87261467) has the molecular formula C5H13NO3Si and a molecular weight of 163.25 g/mol. Its IUPAC name is dimethoxy(dimethyl)silane;isocyanic acid.

Molecular Properties

Compound Namedimethoxy(dimethyl)silane;isocyanic acid
PubChem CID87261467
Molecular FormulaC5H13NO3Si
Molecular Weight163.25 g/mol
Exact Mass163.07
IUPAC Namedimethoxy(dimethyl)silane;isocyanic acid
SMILESCO[Si](C)(C)OC.N=C=O
InChIInChI=1S/C4H12O2Si.CHNO/c1-5-7(3,4)6-2;2-1-3/h1-4H3;2H
InChIKeyCXYPOKFCEQRLOS-UHFFFAOYSA-N
XLogP0.88
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

CID 87192177
CID 87192177
Isocyanic acid;trimethoxy(methyl)silane
CID 87261505
CID 87330958
CID 87330958
Isocyanato-methoxy-dimethylsilane;methane
CID 89116619
Isocyanato-methoxy-dimethylsilane
CID 89116620
Ethyl-dimethoxy-methylsilane;isocyanic acid
CID 172696442
Isocyanic acid;methoxy(dimethyl)silane
CID 172706949
Isocyanic acid;tetramethylsilane
CID 172764725
Isocyanic acid;tetramethylsilane
CID 172795388
Isocyanic acid;methoxy(trimethyl)silane
CID 172832895
Dimethoxy(methyl)silane;isocyanic acid
CID 172839512

Frequently Asked Questions

What is the IUPAC name of dimethoxy(dimethyl)silane;isocyanic acid?
The IUPAC name of dimethoxy(dimethyl)silane;isocyanic acid (CID 87261467) is dimethoxy(dimethyl)silane;isocyanic acid.
What is the SMILES notation for dimethoxy(dimethyl)silane;isocyanic acid?
The canonical SMILES for dimethoxy(dimethyl)silane;isocyanic acid is CO[Si](C)(C)OC.N=C=O.
What is the InChIKey of dimethoxy(dimethyl)silane;isocyanic acid?
The InChIKey is CXYPOKFCEQRLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O2Si.CHNO/c1-5-7(3,4)6-2;2-1-3/h1-4H3;2H.
What are the key properties of dimethoxy(dimethyl)silane;isocyanic acid?
dimethoxy(dimethyl)silane;isocyanic acid has a molecular weight of 163.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(dimethyl)silane;isocyanic acid is sourced from PubChem (CID 87261467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).