trichloro(2-isocyanatoethyl)silane

C3H4Cl3NOSi — CID 154128519

IUPACtrichloro(2-isocyanatoethyl)silane
SMILESO=C=NCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C3H4Cl3NOSi/c4-9(5,6)2-1-7-3-8/h1-2H2
InChIKeyCCTUHBKRPLBGFT-UHFFFAOYSA-N
MW204.52 g/mol
LogP1.98
Rot. Bonds3

About trichloro(2-isocyanatoethyl)silane

trichloro(2-isocyanatoethyl)silane (PubChem CID 154128519) has the molecular formula C3H4Cl3NOSi and a molecular weight of 204.52 g/mol. Its IUPAC name is trichloro(2-isocyanatoethyl)silane.

Molecular Properties

Compound Nametrichloro(2-isocyanatoethyl)silane
PubChem CID154128519
Molecular FormulaC3H4Cl3NOSi
Molecular Weight204.52 g/mol
Exact Mass202.91
IUPAC Nametrichloro(2-isocyanatoethyl)silane
SMILESO=C=NCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C3H4Cl3NOSi/c4-9(5,6)2-1-7-3-8/h1-2H2
InChIKeyCCTUHBKRPLBGFT-UHFFFAOYSA-N
XLogP1.98
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.52
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trichloro(2-isocyanatoethyl)silane?
The IUPAC name of trichloro(2-isocyanatoethyl)silane (CID 154128519) is trichloro(2-isocyanatoethyl)silane.
What is the SMILES notation for trichloro(2-isocyanatoethyl)silane?
The canonical SMILES for trichloro(2-isocyanatoethyl)silane is O=C=NCC[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro(2-isocyanatoethyl)silane?
The InChIKey is CCTUHBKRPLBGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl3NOSi/c4-9(5,6)2-1-7-3-8/h1-2H2.
What are the key properties of trichloro(2-isocyanatoethyl)silane?
trichloro(2-isocyanatoethyl)silane has a molecular weight of 204.52 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(2-isocyanatoethyl)silane is sourced from PubChem (CID 154128519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).