ethoxy-dimethyl-propylsilane;isocyanic acid

C8H19NO2Si — CID 175112717

IUPACethoxy-dimethyl-propylsilane;isocyanic acid
SMILESCCC[Si](C)(C)OCC.N=C=O
InChIInChI=1S/C7H18OSi.CHNO/c1-5-7-9(3,4)8-6-2;2-1-3/h5-7H2,1-4H3;2H
InChIKeyCSAXHUREAXPSOR-UHFFFAOYSA-N
MW189.33 g/mol
LogP2.54
Rot. Bonds4

About ethoxy-dimethyl-propylsilane;isocyanic acid

ethoxy-dimethyl-propylsilane;isocyanic acid (PubChem CID 175112717) has the molecular formula C8H19NO2Si and a molecular weight of 189.33 g/mol. Its IUPAC name is ethoxy-dimethyl-propylsilane;isocyanic acid.

Molecular Properties

Compound Nameethoxy-dimethyl-propylsilane;isocyanic acid
PubChem CID175112717
Molecular FormulaC8H19NO2Si
Molecular Weight189.33 g/mol
Exact Mass189.12
IUPAC Nameethoxy-dimethyl-propylsilane;isocyanic acid
SMILESCCC[Si](C)(C)OCC.N=C=O
InChIInChI=1S/C7H18OSi.CHNO/c1-5-7-9(3,4)8-6-2;2-1-3/h5-7H2,1-4H3;2H
InChIKeyCSAXHUREAXPSOR-UHFFFAOYSA-N
XLogP2.54
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.33
LogP ≤ 52.54
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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Related Compounds

butoxy-dimethyl-propylsilane;isocyanic acid
CID 172732082
bis[2-[ethoxy(dimethyl)silyl]ethyl]-dimethylsilane
CID 19387655
isocyanic acid;trimethoxy(propyl)silane
CID 87261466
ethoxy(trihydroxy)silane;isocyanic acid
CID 174903172
butane;ethane;isocyanic acid
CID 175178457
ethoxy-[5-[ethoxy(dimethyl)silyl]pentyl]-dimethylsilane
CID 153321939
ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane
CID 153321945
3-[ethoxy(dimethyl)silyl]-N,N-dipropylpropan-1-amine
CID 87204397
[dimethyl(propyl)silyl]oxy-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane
CID 18314763
isocyanic acid;tetramethylsilane
CID 172795388
diethyl(dimethyl)silane;isocyanic acid
CID 174661857
3-[ethoxy(dimethyl)silyl]propane-1-thiol;silane
CID 159201084

Frequently Asked Questions

What is the IUPAC name of ethoxy-dimethyl-propylsilane;isocyanic acid?
The IUPAC name of ethoxy-dimethyl-propylsilane;isocyanic acid (CID 175112717) is ethoxy-dimethyl-propylsilane;isocyanic acid.
What is the SMILES notation for ethoxy-dimethyl-propylsilane;isocyanic acid?
The canonical SMILES for ethoxy-dimethyl-propylsilane;isocyanic acid is CCC[Si](C)(C)OCC.N=C=O.
What is the InChIKey of ethoxy-dimethyl-propylsilane;isocyanic acid?
The InChIKey is CSAXHUREAXPSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18OSi.CHNO/c1-5-7-9(3,4)8-6-2;2-1-3/h5-7H2,1-4H3;2H.
What are the key properties of ethoxy-dimethyl-propylsilane;isocyanic acid?
ethoxy-dimethyl-propylsilane;isocyanic acid has a molecular weight of 189.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dimethyl-propylsilane;isocyanic acid is sourced from PubChem (CID 175112717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).