13-(propoxymethoxy)tridec-12-enal

C17H32O3 — CID 162392784

IUPAC13-(propoxymethoxy)tridec-12-enal
SMILESCCCOCOC=CCCCCCCCCCCC=O
InChIInChI=1S/C17H32O3/c1-2-15-19-17-20-16-13-11-9-7-5-3-4-6-8-10-12-14-18/h13-14,16H,2-12,15,17H2,1H3
InChIKeyPYGSQDQFSCAEMW-UHFFFAOYSA-N
MW284.44 g/mol
LogP5.00
Rot. Bonds16

About 13-(propoxymethoxy)tridec-12-enal

13-(propoxymethoxy)tridec-12-enal (PubChem CID 162392784) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 13-(propoxymethoxy)tridec-12-enal.

Molecular Properties

Compound Name13-(propoxymethoxy)tridec-12-enal
PubChem CID162392784
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name13-(propoxymethoxy)tridec-12-enal
SMILESCCCOCOC=CCCCCCCCCCCC=O
InChIInChI=1S/C17H32O3/c1-2-15-19-17-20-16-13-11-9-7-5-3-4-6-8-10-12-14-18/h13-14,16H,2-12,15,17H2,1H3
InChIKeyPYGSQDQFSCAEMW-UHFFFAOYSA-N
XLogP5.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.00
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 13-(propoxymethoxy)tridec-12-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

8-(propoxymethoxy)oct-7-enal
CID 162392540
12-(hexoxymethoxy)dodec-11-enal
CID 162392745
14-(decoxymethoxy)tetradec-13-enal
CID 162392403
8-(decoxymethoxy)oct-7-enal
CID 162392517
5-(nonoxymethoxy)pent-4-enal
CID 162392763
12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene
CID 163205685
7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene
CID 162392591
14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene
CID 163205523
(Z)-tetradec-8-enal
CID 6430188
(E)-heptadec-6-enal
CID 122214705
(E)-octadec-13-enal
CID 5367670
(E)-tetradec-7-enal
CID 5283367

Frequently Asked Questions

What is the IUPAC name of 13-(propoxymethoxy)tridec-12-enal?
The IUPAC name of 13-(propoxymethoxy)tridec-12-enal (CID 162392784) is 13-(propoxymethoxy)tridec-12-enal.
What is the SMILES notation for 13-(propoxymethoxy)tridec-12-enal?
The canonical SMILES for 13-(propoxymethoxy)tridec-12-enal is CCCOCOC=CCCCCCCCCCCC=O.
What is the InChIKey of 13-(propoxymethoxy)tridec-12-enal?
The InChIKey is PYGSQDQFSCAEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-2-15-19-17-20-16-13-11-9-7-5-3-4-6-8-10-12-14-18/h13-14,16H,2-12,15,17H2,1H3.
What are the key properties of 13-(propoxymethoxy)tridec-12-enal?
13-(propoxymethoxy)tridec-12-enal has a molecular weight of 284.44 g/mol, XLogP of 5.00, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(propoxymethoxy)tridec-12-enal is sourced from PubChem (CID 162392784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).