ethyl(dimethoxy)silane;isocyanic acid

C5H13NO3Si — CID 172843980

IUPACethyl(dimethoxy)silane;isocyanic acid
SMILESCC[SiH](OC)OC.N=C=O
InChIInChI=1S/C4H12O2Si.CHNO/c1-4-7(5-2)6-3;2-1-3/h7H,4H2,1-3H3;2H
InChIKeyXEAMDNQWCPZRDO-UHFFFAOYSA-N
MW163.25 g/mol
LogP0.42
Rot. Bonds3

About ethyl(dimethoxy)silane;isocyanic acid

ethyl(dimethoxy)silane;isocyanic acid (PubChem CID 172843980) has the molecular formula C5H13NO3Si and a molecular weight of 163.25 g/mol. Its IUPAC name is ethyl(dimethoxy)silane;isocyanic acid.

Molecular Properties

Compound Nameethyl(dimethoxy)silane;isocyanic acid
PubChem CID172843980
Molecular FormulaC5H13NO3Si
Molecular Weight163.25 g/mol
Exact Mass163.07
IUPAC Nameethyl(dimethoxy)silane;isocyanic acid
SMILESCC[SiH](OC)OC.N=C=O
InChIInChI=1S/C4H12O2Si.CHNO/c1-4-7(5-2)6-3;2-1-3/h7H,4H2,1-3H3;2H
InChIKeyXEAMDNQWCPZRDO-UHFFFAOYSA-N
XLogP0.42
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 50.42
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

Isocyanic acid;trimethoxy(propyl)silane
CID 87261466
Diethyl(dimethoxy)silane;isocyanic acid
CID 87261482
Dimethoxy-methyl-propylsilane;isocyanic acid
CID 87918915
Isocyanato-methoxy-propylsilane
CID 154064424
Diethoxy(ethyl)silane;isocyanic acid
CID 172694032
Diethoxy(methyl)silane;isocyanic acid
CID 172694578
Ethyl-dimethoxy-methylsilane;isocyanic acid
CID 172696442
Dimethoxy(propyl)silane;isocyanic acid
CID 172708235
Ethyl(methoxy)silane;isocyanic acid
CID 172719825
Ethyl(propoxy)silane;isocyanic acid
CID 172720989
Isocyanic acid;trimethoxy(propan-2-yl)silane
CID 172724579
Ethoxy(ethyl)silane;isocyanic acid
CID 172752724

Frequently Asked Questions

What is the IUPAC name of ethyl(dimethoxy)silane;isocyanic acid?
The IUPAC name of ethyl(dimethoxy)silane;isocyanic acid (CID 172843980) is ethyl(dimethoxy)silane;isocyanic acid.
What is the SMILES notation for ethyl(dimethoxy)silane;isocyanic acid?
The canonical SMILES for ethyl(dimethoxy)silane;isocyanic acid is CC[SiH](OC)OC.N=C=O.
What is the InChIKey of ethyl(dimethoxy)silane;isocyanic acid?
The InChIKey is XEAMDNQWCPZRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O2Si.CHNO/c1-4-7(5-2)6-3;2-1-3/h7H,4H2,1-3H3;2H.
What are the key properties of ethyl(dimethoxy)silane;isocyanic acid?
ethyl(dimethoxy)silane;isocyanic acid has a molecular weight of 163.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(dimethoxy)silane;isocyanic acid is sourced from PubChem (CID 172843980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).