isocyanatoethane;silane

C3H9NOSi — CID 174792418

IUPACisocyanatoethane;silane
SMILESCCN=C=O.[SiH4]
InChIInChI=1S/C3H5NO.H4Si/c1-2-4-3-5;/h2H2,1H3;1H4
InChIKeyYAHXTCLXUAPLMZ-UHFFFAOYSA-N
MW103.20 g/mol
LogP-1.11
Rot. Bonds1

About isocyanatoethane;silane

isocyanatoethane;silane (PubChem CID 174792418) has the molecular formula C3H9NOSi and a molecular weight of 103.20 g/mol. Its IUPAC name is isocyanatoethane;silane.

Molecular Properties

Compound Nameisocyanatoethane;silane
PubChem CID174792418
Molecular FormulaC3H9NOSi
Molecular Weight103.20 g/mol
Exact Mass103.05
IUPAC Nameisocyanatoethane;silane
SMILESCCN=C=O.[SiH4]
InChIInChI=1S/C3H5NO.H4Si/c1-2-4-3-5;/h2H2,1H3;1H4
InChIKeyYAHXTCLXUAPLMZ-UHFFFAOYSA-N
XLogP-1.11
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.20
LogP ≤ 5-1.11
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

isocyanatoethane;isocyanic acid
CID 87805421
carbonic acid;isocyanatoethane
CID 135150871
carbonic acid;isocyanatoethane
CID 159798113
N,N'-diethylmethanediimine;isocyanatoethane;isothiocyanatoethane
CID 167685038
fluorobenzene;isocyanatoethane
CID 174836485
acetic acid;formic acid;isocyanatoethane;methylimino(oxo)methane
CID 158266010
ethyl 2-methylprop-2-enoate;isocyanatoethane
CID 158793197
triethyl(2-isocyanatoethyl)silane
CID 87128357
isocyanatoethane;2-(pyridin-2-yldisulfanyl)pyridine
CID 122690557
1-isocyanatodotriacontane
CID 87857577
isocyanatomethyl(dimethyl)silane
CID 123789634
N-ethylbut-1-en-1-imine
CID 152748831

Frequently Asked Questions

What is the IUPAC name of isocyanatoethane;silane?
The IUPAC name of isocyanatoethane;silane (CID 174792418) is isocyanatoethane;silane.
What is the SMILES notation for isocyanatoethane;silane?
The canonical SMILES for isocyanatoethane;silane is CCN=C=O.[SiH4].
What is the InChIKey of isocyanatoethane;silane?
The InChIKey is YAHXTCLXUAPLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.H4Si/c1-2-4-3-5;/h2H2,1H3;1H4.
What are the key properties of isocyanatoethane;silane?
isocyanatoethane;silane has a molecular weight of 103.20 g/mol, XLogP of -1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanatoethane;silane is sourced from PubChem (CID 174792418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).