12-(hexoxymethoxy)dodec-11-enal

C19H36O3 — CID 162392745

IUPAC12-(hexoxymethoxy)dodec-11-enal
SMILESCCCCCCOCOC=CCCCCCCCCCC=O
InChIInChI=1S/C19H36O3/c1-2-3-4-14-17-21-19-22-18-15-12-10-8-6-5-7-9-11-13-16-20/h15-16,18H,2-14,17,19H2,1H3
InChIKeyNKJXTOIVNDBBEO-UHFFFAOYSA-N
MW312.49 g/mol
LogP5.78
Rot. Bonds18

About 12-(hexoxymethoxy)dodec-11-enal

12-(hexoxymethoxy)dodec-11-enal (PubChem CID 162392745) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is 12-(hexoxymethoxy)dodec-11-enal.

Molecular Properties

Compound Name12-(hexoxymethoxy)dodec-11-enal
PubChem CID162392745
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name12-(hexoxymethoxy)dodec-11-enal
SMILESCCCCCCOCOC=CCCCCCCCCCC=O
InChIInChI=1S/C19H36O3/c1-2-3-4-14-17-21-19-22-18-15-12-10-8-6-5-7-9-11-13-16-20/h15-16,18H,2-14,17,19H2,1H3
InChIKeyNKJXTOIVNDBBEO-UHFFFAOYSA-N
XLogP5.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.49
LogP ≤ 55.78
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'}

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Related Compounds

14-(decoxymethoxy)tetradec-13-enal
CID 162392403
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
(E)-tetradec-7-enal
CID 5283367
tetracos-11-enal
CID 173212441
(E)-hexacos-17-enal
CID 20847611

Frequently Asked Questions

What is the IUPAC name of 12-(hexoxymethoxy)dodec-11-enal?
The IUPAC name of 12-(hexoxymethoxy)dodec-11-enal (CID 162392745) is 12-(hexoxymethoxy)dodec-11-enal.
What is the SMILES notation for 12-(hexoxymethoxy)dodec-11-enal?
The canonical SMILES for 12-(hexoxymethoxy)dodec-11-enal is CCCCCCOCOC=CCCCCCCCCCC=O.
What is the InChIKey of 12-(hexoxymethoxy)dodec-11-enal?
The InChIKey is NKJXTOIVNDBBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3/c1-2-3-4-14-17-21-19-22-18-15-12-10-8-6-5-7-9-11-13-16-20/h15-16,18H,2-14,17,19H2,1H3.
What are the key properties of 12-(hexoxymethoxy)dodec-11-enal?
12-(hexoxymethoxy)dodec-11-enal has a molecular weight of 312.49 g/mol, XLogP of 5.78, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(hexoxymethoxy)dodec-11-enal is sourced from PubChem (CID 162392745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).