ethyl 5-ethyliminooctadecanoate

C22H43NO2 — CID 139895358

IUPACethyl 5-ethyliminooctadecanoate
SMILESCCCCCCCCCCCCC/C(CCCC(=O)OCC)=N\CC
InChIInChI=1S/C22H43NO2/c1-4-7-8-9-10-11-12-13-14-15-16-18-21(23-5-2)19-17-20-22(24)25-6-3/h4-20H2,1-3H3/b23-21+
InChIKeyFXPKEHCVWXTYMT-XTQSDGFTSA-N
MW353.59 g/mol
LogP6.88
Rot. Bonds18

About ethyl 5-ethyliminooctadecanoate

ethyl 5-ethyliminooctadecanoate (PubChem CID 139895358) has the molecular formula C22H43NO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is ethyl 5-ethyliminooctadecanoate.

Molecular Properties

Compound Nameethyl 5-ethyliminooctadecanoate
PubChem CID139895358
Molecular FormulaC22H43NO2
Molecular Weight353.59 g/mol
Exact Mass353.33
IUPAC Nameethyl 5-ethyliminooctadecanoate
SMILESCCCCCCCCCCCCC/C(CCCC(=O)OCC)=N\CC
InChIInChI=1S/C22H43NO2/c1-4-7-8-9-10-11-12-13-14-15-16-18-21(23-5-2)19-17-20-22(24)25-6-3/h4-20H2,1-3H3/b23-21+
InChIKeyFXPKEHCVWXTYMT-XTQSDGFTSA-N
XLogP6.88
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyliminooctadecanoate?
The IUPAC name of ethyl 5-ethyliminooctadecanoate (CID 139895358) is ethyl 5-ethyliminooctadecanoate.
What is the SMILES notation for ethyl 5-ethyliminooctadecanoate?
The canonical SMILES for ethyl 5-ethyliminooctadecanoate is CCCCCCCCCCCCC/C(CCCC(=O)OCC)=N\CC.
What is the InChIKey of ethyl 5-ethyliminooctadecanoate?
The InChIKey is FXPKEHCVWXTYMT-XTQSDGFTSA-N. The full InChI is InChI=1S/C22H43NO2/c1-4-7-8-9-10-11-12-13-14-15-16-18-21(23-5-2)19-17-20-22(24)25-6-3/h4-20H2,1-3H3/b23-21+.
What are the key properties of ethyl 5-ethyliminooctadecanoate?
ethyl 5-ethyliminooctadecanoate has a molecular weight of 353.59 g/mol, XLogP of 6.88, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyliminooctadecanoate is sourced from PubChem (CID 139895358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).