1-octadec-1-enoxyoctadec-1-ene

C36H70O — CID 54273952

IUPAC1-octadec-1-enoxyoctadec-1-ene
SMILESCCCCCCCCCCCCCCCCC=COC=CCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H70O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36H,3-32H2,1-2H3
InChIKeyRMCFFXOISLEIFJ-UHFFFAOYSA-N
MW518.96 g/mol
LogP13.77
Rot. Bonds32

About 1-octadec-1-enoxyoctadec-1-ene

1-octadec-1-enoxyoctadec-1-ene (PubChem CID 54273952) has the molecular formula C36H70O and a molecular weight of 518.96 g/mol. Its IUPAC name is 1-octadec-1-enoxyoctadec-1-ene.

Molecular Properties

Compound Name1-octadec-1-enoxyoctadec-1-ene
PubChem CID54273952
Molecular FormulaC36H70O
Molecular Weight518.96 g/mol
Exact Mass518.54
IUPAC Name1-octadec-1-enoxyoctadec-1-ene
SMILESCCCCCCCCCCCCCCCCC=COC=CCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H70O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36H,3-32H2,1-2H3
InChIKeyRMCFFXOISLEIFJ-UHFFFAOYSA-N
XLogP13.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.96
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-octadec-1-enoxyoctadec-1-ene?
The IUPAC name of 1-octadec-1-enoxyoctadec-1-ene (CID 54273952) is 1-octadec-1-enoxyoctadec-1-ene.
What is the SMILES notation for 1-octadec-1-enoxyoctadec-1-ene?
The canonical SMILES for 1-octadec-1-enoxyoctadec-1-ene is CCCCCCCCCCCCCCCCC=COC=CCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-octadec-1-enoxyoctadec-1-ene?
The InChIKey is RMCFFXOISLEIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H70O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36H,3-32H2,1-2H3.
What are the key properties of 1-octadec-1-enoxyoctadec-1-ene?
1-octadec-1-enoxyoctadec-1-ene has a molecular weight of 518.96 g/mol, XLogP of 13.77, 32 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadec-1-enoxyoctadec-1-ene is sourced from PubChem (CID 54273952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).