2-(2-isocyanoethoxy)ethoxy-trimethylsilane

C8H17NO2Si — CID 140916140

IUPAC2-(2-isocyanoethoxy)ethoxy-trimethylsilane
SMILES[C-]#[N+]CCOCCO[Si](C)(C)C
InChIInChI=1S/C8H17NO2Si/c1-9-5-6-10-7-8-11-12(2,3)4/h5-8H2,2-4H3
InChIKeyXNVJELKXXZBASB-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.77
Rot. Bonds6

About 2-(2-isocyanoethoxy)ethoxy-trimethylsilane

2-(2-isocyanoethoxy)ethoxy-trimethylsilane (PubChem CID 140916140) has the molecular formula C8H17NO2Si and a molecular weight of 187.31 g/mol. Its IUPAC name is 2-(2-isocyanoethoxy)ethoxy-trimethylsilane.

Molecular Properties

Compound Name2-(2-isocyanoethoxy)ethoxy-trimethylsilane
PubChem CID140916140
Molecular FormulaC8H17NO2Si
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name2-(2-isocyanoethoxy)ethoxy-trimethylsilane
SMILES[C-]#[N+]CCOCCO[Si](C)(C)C
InChIInChI=1S/C8H17NO2Si/c1-9-5-6-10-7-8-11-12(2,3)4/h5-8H2,2-4H3
InChIKeyXNVJELKXXZBASB-UHFFFAOYSA-N
XLogP1.77
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-isocyanoethoxy)ethoxy-trimethylsilane?
The IUPAC name of 2-(2-isocyanoethoxy)ethoxy-trimethylsilane (CID 140916140) is 2-(2-isocyanoethoxy)ethoxy-trimethylsilane.
What is the SMILES notation for 2-(2-isocyanoethoxy)ethoxy-trimethylsilane?
The canonical SMILES for 2-(2-isocyanoethoxy)ethoxy-trimethylsilane is [C-]#[N+]CCOCCO[Si](C)(C)C.
What is the InChIKey of 2-(2-isocyanoethoxy)ethoxy-trimethylsilane?
The InChIKey is XNVJELKXXZBASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2Si/c1-9-5-6-10-7-8-11-12(2,3)4/h5-8H2,2-4H3.
What are the key properties of 2-(2-isocyanoethoxy)ethoxy-trimethylsilane?
2-(2-isocyanoethoxy)ethoxy-trimethylsilane has a molecular weight of 187.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-isocyanoethoxy)ethoxy-trimethylsilane is sourced from PubChem (CID 140916140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).