12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene

C18H36O4 — CID 163205685

IUPAC12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene
SMILESCCCOCOC=CCCCCCCCCCC(OC)OC
InChIInChI=1S/C18H36O4/c1-4-15-21-17-22-16-13-11-9-7-5-6-8-10-12-14-18(19-2)20-3/h13,16,18H,4-12,14-15,17H2,1-3H3
InChIKeyGWYWGMASAJYXIM-UHFFFAOYSA-N
MW316.48 g/mol
LogP5.03
Rot. Bonds17

About 12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene

12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene (PubChem CID 163205685) has the molecular formula C18H36O4 and a molecular weight of 316.48 g/mol. Its IUPAC name is 12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene.

Molecular Properties

Compound Name12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene
PubChem CID163205685
Molecular FormulaC18H36O4
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Name12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene
SMILESCCCOCOC=CCCCCCCCCCC(OC)OC
InChIInChI=1S/C18H36O4/c1-4-15-21-17-22-16-13-11-9-7-5-6-8-10-12-14-18(19-2)20-3/h13,16,18H,4-12,14-15,17H2,1-3H3
InChIKeyGWYWGMASAJYXIM-UHFFFAOYSA-N
XLogP5.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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

7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene
CID 162392591
14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene
CID 163205523
17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene
CID 163205994
14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene
CID 163205475
1-(decoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163206012
12,12-diheptoxy-1-(hexoxymethoxy)dodec-1-ene
CID 163205820
12,12-dihexoxy-1-(nonoxymethoxy)dodec-1-ene
CID 163205535
7,7-diethoxy-1-(hexoxymethoxy)hept-1-ene
CID 162392678
13-(propoxymethoxy)tridec-12-enal
CID 162392784
8-(propoxymethoxy)oct-7-enal
CID 162392540
(Z)-16,16-dimethoxyhexadec-7-ene
CID 6438015
1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163205565

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene?
The IUPAC name of 12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene (CID 163205685) is 12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene.
What is the SMILES notation for 12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene?
The canonical SMILES for 12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene is CCCOCOC=CCCCCCCCCCC(OC)OC.
What is the InChIKey of 12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene?
The InChIKey is GWYWGMASAJYXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4/c1-4-15-21-17-22-16-13-11-9-7-5-6-8-10-12-14-18(19-2)20-3/h13,16,18H,4-12,14-15,17H2,1-3H3.
What are the key properties of 12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene?
12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene has a molecular weight of 316.48 g/mol, XLogP of 5.03, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethoxy-1-(propoxymethoxy)dodec-1-ene is sourced from PubChem (CID 163205685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).