14-(decoxymethoxy)tetradec-13-enal

C25H48O3 — CID 162392403

IUPAC14-(decoxymethoxy)tetradec-13-enal
SMILESCCCCCCCCCCOCOC=CCCCCCCCCCCCC=O
InChIInChI=1S/C25H48O3/c1-2-3-4-5-6-14-17-20-23-27-25-28-24-21-18-15-12-10-8-7-9-11-13-16-19-22-26/h21-22,24H,2-20,23,25H2,1H3
InChIKeyZOYZUCLZQOAWBK-UHFFFAOYSA-N
MW396.66 g/mol
LogP8.12
Rot. Bonds24

About 14-(decoxymethoxy)tetradec-13-enal

14-(decoxymethoxy)tetradec-13-enal (PubChem CID 162392403) has the molecular formula C25H48O3 and a molecular weight of 396.66 g/mol. Its IUPAC name is 14-(decoxymethoxy)tetradec-13-enal.

Molecular Properties

Compound Name14-(decoxymethoxy)tetradec-13-enal
PubChem CID162392403
Molecular FormulaC25H48O3
Molecular Weight396.66 g/mol
Exact Mass396.36
IUPAC Name14-(decoxymethoxy)tetradec-13-enal
SMILESCCCCCCCCCCOCOC=CCCCCCCCCCCCC=O
InChIInChI=1S/C25H48O3/c1-2-3-4-5-6-14-17-20-23-27-25-28-24-21-18-15-12-10-8-7-9-11-13-16-19-22-26/h21-22,24H,2-20,23,25H2,1H3
InChIKeyZOYZUCLZQOAWBK-UHFFFAOYSA-N
XLogP8.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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'}

Analyze 14-(decoxymethoxy)tetradec-13-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-(hexoxymethoxy)dodec-11-enal
CID 162392745
8-(decoxymethoxy)oct-7-enal
CID 162392517
5-(nonoxymethoxy)pent-4-enal
CID 162392763
13-(propoxymethoxy)tridec-12-enal
CID 162392784
8-(propoxymethoxy)oct-7-enal
CID 162392540
12,12-diheptoxy-1-(hexoxymethoxy)dodec-1-ene
CID 163205820
1-(decoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163206012
12,12-dihexoxy-1-(nonoxymethoxy)dodec-1-ene
CID 163205535
7,7-diethoxy-1-(hexoxymethoxy)hept-1-ene
CID 162392678
(Z)-tetradec-8-enal
CID 6430188
(E)-heptadec-6-enal
CID 122214705
(E)-tetradec-7-enal
CID 5283367

Frequently Asked Questions

What is the IUPAC name of 14-(decoxymethoxy)tetradec-13-enal?
The IUPAC name of 14-(decoxymethoxy)tetradec-13-enal (CID 162392403) is 14-(decoxymethoxy)tetradec-13-enal.
What is the SMILES notation for 14-(decoxymethoxy)tetradec-13-enal?
The canonical SMILES for 14-(decoxymethoxy)tetradec-13-enal is CCCCCCCCCCOCOC=CCCCCCCCCCCCC=O.
What is the InChIKey of 14-(decoxymethoxy)tetradec-13-enal?
The InChIKey is ZOYZUCLZQOAWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O3/c1-2-3-4-5-6-14-17-20-23-27-25-28-24-21-18-15-12-10-8-7-9-11-13-16-19-22-26/h21-22,24H,2-20,23,25H2,1H3.
What are the key properties of 14-(decoxymethoxy)tetradec-13-enal?
14-(decoxymethoxy)tetradec-13-enal has a molecular weight of 396.66 g/mol, XLogP of 8.12, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(decoxymethoxy)tetradec-13-enal is sourced from PubChem (CID 162392403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).