1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene

C32H64O4 — CID 166757481

IUPAC1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene
SMILESCCCCCCCCCCC(OCCCCCCCCC)=C(OCCCCCCCCC)OCOC
InChIInChI=1S/C32H64O4/c1-5-8-11-14-17-18-21-24-27-31(34-28-25-22-19-15-12-9-6-2)32(36-30-33-4)35-29-26-23-20-16-13-10-7-3/h5-30H2,1-4H3
InChIKeySXPJQDUHZXYZNK-UHFFFAOYSA-N
MW512.86 g/mol
LogP10.84
Rot. Bonds30

About 1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene

1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene (PubChem CID 166757481) has the molecular formula C32H64O4 and a molecular weight of 512.86 g/mol. Its IUPAC name is 1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene.

Molecular Properties

Compound Name1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene
PubChem CID166757481
Molecular FormulaC32H64O4
Molecular Weight512.86 g/mol
Exact Mass512.48
IUPAC Name1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene
SMILESCCCCCCCCCCC(OCCCCCCCCC)=C(OCCCCCCCCC)OCOC
InChIInChI=1S/C32H64O4/c1-5-8-11-14-17-18-21-24-27-31(34-28-25-22-19-15-12-9-6-2)32(36-30-33-4)35-29-26-23-20-16-13-10-7-3/h5-30H2,1-4H3
InChIKeySXPJQDUHZXYZNK-UHFFFAOYSA-N
XLogP10.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.86
LogP ≤ 510.84
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

1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene
CID 166758186
1-[1-(methoxymethoxy)-1-octoxyhex-1-en-2-yl]oxyoctane
CID 166758231
(Z)-1,2-dibutoxy-1-(methoxymethoxy)dec-1-ene
CID 166757933
1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane
CID 166757652
1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene
CID 166758083
(Z)-1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene
CID 166758082
1-(methoxymethoxy)-1,2-dipentoxypent-1-ene
CID 166757454
1-(heptoxymethoxy)-1,2-dipentoxyhept-1-ene
CID 166757816
(Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene
CID 166757534
1-[1-(heptoxymethoxy)-1-nonoxypent-1-en-2-yl]oxynonane
CID 166757935
(Z)-1,2-dimethoxy-1-(methoxymethoxy)tridec-1-ene
CID 166758033
1-[[(Z)-1,2-dibutoxypent-1-enoxy]methoxy]heptane
CID 166757505

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene?
The IUPAC name of 1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene (CID 166757481) is 1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene.
What is the SMILES notation for 1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene?
The canonical SMILES for 1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene is CCCCCCCCCCC(OCCCCCCCCC)=C(OCCCCCCCCC)OCOC.
What is the InChIKey of 1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene?
The InChIKey is SXPJQDUHZXYZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O4/c1-5-8-11-14-17-18-21-24-27-31(34-28-25-22-19-15-12-9-6-2)32(36-30-33-4)35-29-26-23-20-16-13-10-7-3/h5-30H2,1-4H3.
What are the key properties of 1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene?
1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene has a molecular weight of 512.86 g/mol, XLogP of 10.84, 30 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene is sourced from PubChem (CID 166757481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).