ethyl(isocyanato)silane

C3H7NOSi — CID 150465617

IUPACethyl(isocyanato)silane
SMILESCC[SiH2]N=C=O
InChIInChI=1S/C3H7NOSi/c1-2-6-4-3-5/h2,6H2,1H3
InChIKeyHQRXSXCQGFRKMY-UHFFFAOYSA-N
MW101.18 g/mol
LogP-0.16
Rot. Bonds2

About ethyl(isocyanato)silane

ethyl(isocyanato)silane (PubChem CID 150465617) has the molecular formula C3H7NOSi and a molecular weight of 101.18 g/mol. Its IUPAC name is ethyl(isocyanato)silane.

Molecular Properties

Compound Nameethyl(isocyanato)silane
PubChem CID150465617
Molecular FormulaC3H7NOSi
Molecular Weight101.18 g/mol
Exact Mass101.03
IUPAC Nameethyl(isocyanato)silane
SMILESCC[SiH2]N=C=O
InChIInChI=1S/C3H7NOSi/c1-2-6-4-3-5/h2,6H2,1H3
InChIKeyHQRXSXCQGFRKMY-UHFFFAOYSA-N
XLogP-0.16
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.18
LogP ≤ 5-0.16
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'}

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Related Compounds

CID 17960147
CID 17960147
CID 154061073
CID 154061073
CID 162050970
CID 162050970
CID 173303458
CID 173303458

Frequently Asked Questions

What is the IUPAC name of ethyl(isocyanato)silane?
The IUPAC name of ethyl(isocyanato)silane (CID 150465617) is ethyl(isocyanato)silane.
What is the SMILES notation for ethyl(isocyanato)silane?
The canonical SMILES for ethyl(isocyanato)silane is CC[SiH2]N=C=O.
What is the InChIKey of ethyl(isocyanato)silane?
The InChIKey is HQRXSXCQGFRKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOSi/c1-2-6-4-3-5/h2,6H2,1H3.
What are the key properties of ethyl(isocyanato)silane?
ethyl(isocyanato)silane has a molecular weight of 101.18 g/mol, XLogP of -0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(isocyanato)silane is sourced from PubChem (CID 150465617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).