ethoxy(ethyl)silane;isocyanic acid

C5H13NO2Si — CID 172752724

IUPACethoxy(ethyl)silane;isocyanic acid
SMILESCCO[SiH2]CC.N=C=O
InChIInChI=1S/C4H12OSi.CHNO/c1-3-5-6-4-2;2-1-3/h3-4,6H2,1-2H3;2H
InChIKeyKPARPTDOTVRXGP-UHFFFAOYSA-N
MW147.25 g/mol
LogP0.45
Rot. Bonds3

About ethoxy(ethyl)silane;isocyanic acid

ethoxy(ethyl)silane;isocyanic acid (PubChem CID 172752724) has the molecular formula C5H13NO2Si and a molecular weight of 147.25 g/mol. Its IUPAC name is ethoxy(ethyl)silane;isocyanic acid.

Molecular Properties

Compound Nameethoxy(ethyl)silane;isocyanic acid
PubChem CID172752724
Molecular FormulaC5H13NO2Si
Molecular Weight147.25 g/mol
Exact Mass147.07
IUPAC Nameethoxy(ethyl)silane;isocyanic acid
SMILESCCO[SiH2]CC.N=C=O
InChIInChI=1S/C4H12OSi.CHNO/c1-3-5-6-4-2;2-1-3/h3-4,6H2,1-2H3;2H
InChIKeyKPARPTDOTVRXGP-UHFFFAOYSA-N
XLogP0.45
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy(ethyl)silane;isocyanic acid?
The IUPAC name of ethoxy(ethyl)silane;isocyanic acid (CID 172752724) is ethoxy(ethyl)silane;isocyanic acid.
What is the SMILES notation for ethoxy(ethyl)silane;isocyanic acid?
The canonical SMILES for ethoxy(ethyl)silane;isocyanic acid is CCO[SiH2]CC.N=C=O.
What is the InChIKey of ethoxy(ethyl)silane;isocyanic acid?
The InChIKey is KPARPTDOTVRXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12OSi.CHNO/c1-3-5-6-4-2;2-1-3/h3-4,6H2,1-2H3;2H.
What are the key properties of ethoxy(ethyl)silane;isocyanic acid?
ethoxy(ethyl)silane;isocyanic acid has a molecular weight of 147.25 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(ethyl)silane;isocyanic acid is sourced from PubChem (CID 172752724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).