16,16-diethoxyhexadec-14-enal

C20H38O3 — CID 141041354

IUPAC16,16-diethoxyhexadec-14-enal
SMILESCCOC(C=CCCCCCCCCCCCCC=O)OCC
InChIInChI=1S/C20H38O3/c1-3-22-20(23-4-2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21/h16,18-20H,3-15,17H2,1-2H3
InChIKeyDVTZMILIXVSXRY-UHFFFAOYSA-N
MW326.52 g/mol
LogP5.82
Rot. Bonds18

About 16,16-diethoxyhexadec-14-enal

16,16-diethoxyhexadec-14-enal (PubChem CID 141041354) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 16,16-diethoxyhexadec-14-enal.

Molecular Properties

Compound Name16,16-diethoxyhexadec-14-enal
PubChem CID141041354
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name16,16-diethoxyhexadec-14-enal
SMILESCCOC(C=CCCCCCCCCCCCCC=O)OCC
InChIInChI=1S/C20H38O3/c1-3-22-20(23-4-2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21/h16,18-20H,3-15,17H2,1-2H3
InChIKeyDVTZMILIXVSXRY-UHFFFAOYSA-N
XLogP5.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 16,16-diethoxyhexadec-14-enal?
The IUPAC name of 16,16-diethoxyhexadec-14-enal (CID 141041354) is 16,16-diethoxyhexadec-14-enal.
What is the SMILES notation for 16,16-diethoxyhexadec-14-enal?
The canonical SMILES for 16,16-diethoxyhexadec-14-enal is CCOC(C=CCCCCCCCCCCCCC=O)OCC.
What is the InChIKey of 16,16-diethoxyhexadec-14-enal?
The InChIKey is DVTZMILIXVSXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-3-22-20(23-4-2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21/h16,18-20H,3-15,17H2,1-2H3.
What are the key properties of 16,16-diethoxyhexadec-14-enal?
16,16-diethoxyhexadec-14-enal has a molecular weight of 326.52 g/mol, XLogP of 5.82, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16-diethoxyhexadec-14-enal is sourced from PubChem (CID 141041354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).