1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene

C23H46O4 — CID 166758186

IUPAC1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene
SMILESCCCCCCCCCC(OCCCCC)=C(OCCCCC)OCOC
InChIInChI=1S/C23H46O4/c1-5-8-11-12-13-14-15-18-22(25-19-16-9-6-2)23(27-21-24-4)26-20-17-10-7-3/h5-21H2,1-4H3
InChIKeyIJRBBRICGHWEDV-UHFFFAOYSA-N
MW386.62 g/mol
LogP7.33
Rot. Bonds21

About 1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene

1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene (PubChem CID 166758186) has the molecular formula C23H46O4 and a molecular weight of 386.62 g/mol. Its IUPAC name is 1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene.

Molecular Properties

Compound Name1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene
PubChem CID166758186
Molecular FormulaC23H46O4
Molecular Weight386.62 g/mol
Exact Mass386.34
IUPAC Name1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene
SMILESCCCCCCCCCC(OCCCCC)=C(OCCCCC)OCOC
InChIInChI=1S/C23H46O4/c1-5-8-11-12-13-14-15-18-22(25-19-16-9-6-2)23(27-21-24-4)26-20-17-10-7-3/h5-21H2,1-4H3
InChIKeyIJRBBRICGHWEDV-UHFFFAOYSA-N
XLogP7.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 57.33
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-di(nonoxy)dodec-1-ene
CID 166757481
1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene
CID 166758083
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
(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-dipentoxyundec-1-ene?
The IUPAC name of 1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene (CID 166758186) is 1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene.
What is the SMILES notation for 1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene?
The canonical SMILES for 1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene is CCCCCCCCCC(OCCCCC)=C(OCCCCC)OCOC.
What is the InChIKey of 1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene?
The InChIKey is IJRBBRICGHWEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O4/c1-5-8-11-12-13-14-15-18-22(25-19-16-9-6-2)23(27-21-24-4)26-20-17-10-7-3/h5-21H2,1-4H3.
What are the key properties of 1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene?
1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene has a molecular weight of 386.62 g/mol, XLogP of 7.33, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene is sourced from PubChem (CID 166758186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).