2-ethoxyethanol;ethyl 2-cyanoprop-2-enoate

C10H17NO4 — CID 88737395

IUPAC2-ethoxyethanol;ethyl 2-cyanoprop-2-enoate
SMILESC=C(C#N)C(=O)OCC.CCOCCO
InChIInChI=1S/C6H7NO2.C4H10O2/c1-3-9-6(8)5(2)4-7;1-2-6-4-3-5/h2-3H2,1H3;5H,2-4H2,1H3
InChIKeyKBUYSAIOICVSTG-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.64
Rot. Bonds5

About 2-ethoxyethanol;ethyl 2-cyanoprop-2-enoate

2-ethoxyethanol;ethyl 2-cyanoprop-2-enoate (PubChem CID 88737395) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-ethoxyethanol;ethyl 2-cyanoprop-2-enoate.

Molecular Properties

Compound Name2-ethoxyethanol;ethyl 2-cyanoprop-2-enoate
PubChem CID88737395
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-ethoxyethanol;ethyl 2-cyanoprop-2-enoate
SMILESC=C(C#N)C(=O)OCC.CCOCCO
InChIInChI=1S/C6H7NO2.C4H10O2/c1-3-9-6(8)5(2)4-7;1-2-6-4-3-5/h2-3H2,1H3;5H,2-4H2,1H3
InChIKeyKBUYSAIOICVSTG-UHFFFAOYSA-N
XLogP0.64
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(2-hydroxyethoxy)-2-oxopropanoate
CID 139483424
2-ethoxyethanol;ethyl acetate
CID 22463789
3-propoxypropyl 2-cyanoprop-2-enoate
CID 57423290
propanoic acid;propyl 2-cyanoprop-2-enoate
CID 174742074
2-hexoxyethyl 2-cyanoprop-2-enoate
CID 20547382
2-ethylbutyl 2-cyanoprop-2-enoate
CID 5134223
2-trimethylsilylethyl 2-cyanoprop-2-enoate
CID 54203194
bis(2-(2-ethoxyethoxy)ethanol);hydrate
CID 87793690
2-ethoxyethanol;silane
CID 173283937
2-ethoxyethanol;neodymium
CID 174490221
diethyl pentanedioate;2-ethoxyethanol
CID 174867931
2-ethoxyethanol;propanoic acid
CID 71354268

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanol;ethyl 2-cyanoprop-2-enoate?
The IUPAC name of 2-ethoxyethanol;ethyl 2-cyanoprop-2-enoate (CID 88737395) is 2-ethoxyethanol;ethyl 2-cyanoprop-2-enoate.
What is the SMILES notation for 2-ethoxyethanol;ethyl 2-cyanoprop-2-enoate?
The canonical SMILES for 2-ethoxyethanol;ethyl 2-cyanoprop-2-enoate is C=C(C#N)C(=O)OCC.CCOCCO.
What is the InChIKey of 2-ethoxyethanol;ethyl 2-cyanoprop-2-enoate?
The InChIKey is KBUYSAIOICVSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.C4H10O2/c1-3-9-6(8)5(2)4-7;1-2-6-4-3-5/h2-3H2,1H3;5H,2-4H2,1H3.
What are the key properties of 2-ethoxyethanol;ethyl 2-cyanoprop-2-enoate?
2-ethoxyethanol;ethyl 2-cyanoprop-2-enoate has a molecular weight of 215.25 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanol;ethyl 2-cyanoprop-2-enoate is sourced from PubChem (CID 88737395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).