2-octadec-1-en-2-yloxyoctadec-1-ene

C36H70O — CID 18958449

IUPAC2-octadec-1-en-2-yloxyoctadec-1-ene
SMILESC=C(CCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCC
InChIInChI=1S/C36H70O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3)37-36(4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-34H2,1-2H3
InChIKeyUCOPSIKNBCPGBU-UHFFFAOYSA-N
MW518.96 g/mol
LogP13.77
Rot. Bonds32

About 2-octadec-1-en-2-yloxyoctadec-1-ene

2-octadec-1-en-2-yloxyoctadec-1-ene (PubChem CID 18958449) has the molecular formula C36H70O and a molecular weight of 518.96 g/mol. Its IUPAC name is 2-octadec-1-en-2-yloxyoctadec-1-ene.

Molecular Properties

Compound Name2-octadec-1-en-2-yloxyoctadec-1-ene
PubChem CID18958449
Molecular FormulaC36H70O
Molecular Weight518.96 g/mol
Exact Mass518.54
IUPAC Name2-octadec-1-en-2-yloxyoctadec-1-ene
SMILESC=C(CCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCC
InChIInChI=1S/C36H70O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3)37-36(4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-34H2,1-2H3
InChIKeyUCOPSIKNBCPGBU-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 2-octadec-1-en-2-yloxyoctadec-1-ene?
The IUPAC name of 2-octadec-1-en-2-yloxyoctadec-1-ene (CID 18958449) is 2-octadec-1-en-2-yloxyoctadec-1-ene.
What is the SMILES notation for 2-octadec-1-en-2-yloxyoctadec-1-ene?
The canonical SMILES for 2-octadec-1-en-2-yloxyoctadec-1-ene is C=C(CCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCC.
What is the InChIKey of 2-octadec-1-en-2-yloxyoctadec-1-ene?
The InChIKey is UCOPSIKNBCPGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H70O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3)37-36(4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-34H2,1-2H3.
What are the key properties of 2-octadec-1-en-2-yloxyoctadec-1-ene?
2-octadec-1-en-2-yloxyoctadec-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 2-octadec-1-en-2-yloxyoctadec-1-ene is sourced from PubChem (CID 18958449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).