2-(2-butoxyethoxy)ethyl cyanate

C9H17NO3 — CID 141333392

IUPAC2-(2-butoxyethoxy)ethyl cyanate
SMILESCCCCOCCOCCOC#N
InChIInChI=1S/C9H17NO3/c1-2-3-4-11-5-6-12-7-8-13-9-10/h2-8H2,1H3
InChIKeyIOEPXMZXWNVLMX-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.32
Rot. Bonds9

About 2-(2-butoxyethoxy)ethyl cyanate

2-(2-butoxyethoxy)ethyl cyanate (PubChem CID 141333392) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethyl cyanate.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethyl cyanate
PubChem CID141333392
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-(2-butoxyethoxy)ethyl cyanate
SMILESCCCCOCCOCCOC#N
InChIInChI=1S/C9H17NO3/c1-2-3-4-11-5-6-12-7-8-13-9-10/h2-8H2,1H3
InChIKeyIOEPXMZXWNVLMX-UHFFFAOYSA-N
XLogP1.32
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

2-(2-butoxyethoxy)acetonitrile
CID 29001467
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
bicyclo[2.2.0]hexa-1,3,5-triene;butyl cyanate
CID 175306715
3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-chloropropanenitrile
CID 104561736
ethane;1-(2-propoxyethoxy)butane
CID 164535746
chlorophosphane;1-pentoxypentane
CID 175245109
aluminum;1-butoxybutane;hydride
CID 174684135
1-butoxybutane;methoxymethane
CID 18401298
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496
butane;pentane;1-propoxybutane;1-(2-propoxyethoxy)butane
CID 167680049
1-(2-decoxyethoxy)decane
CID 14009354

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)ethyl cyanate?
The IUPAC name of 2-(2-butoxyethoxy)ethyl cyanate (CID 141333392) is 2-(2-butoxyethoxy)ethyl cyanate.
What is the SMILES notation for 2-(2-butoxyethoxy)ethyl cyanate?
The canonical SMILES for 2-(2-butoxyethoxy)ethyl cyanate is CCCCOCCOCCOC#N.
What is the InChIKey of 2-(2-butoxyethoxy)ethyl cyanate?
The InChIKey is IOEPXMZXWNVLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-3-4-11-5-6-12-7-8-13-9-10/h2-8H2,1H3.
What are the key properties of 2-(2-butoxyethoxy)ethyl cyanate?
2-(2-butoxyethoxy)ethyl cyanate has a molecular weight of 187.24 g/mol, XLogP of 1.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethyl cyanate is sourced from PubChem (CID 141333392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).