(Z)-1-[2-[(Z)-octadec-9-enoxy]ethoxy]octadec-9-ene

C38H74O2 — CID 5364675

IUPAC(Z)-1-[2-[(Z)-octadec-9-enoxy]ethoxy]octadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCCOCCOCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C38H74O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-37-38-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-38H2,1-2H3/b19-17-,20-18-
InChIKeyHLSUQUJDDMLNMX-CLFAGFIQSA-N
MW563.01 g/mol
LogP13.09
Rot. Bonds35

About (Z)-1-[2-[(Z)-octadec-9-enoxy]ethoxy]octadec-9-ene

(Z)-1-[2-[(Z)-octadec-9-enoxy]ethoxy]octadec-9-ene (PubChem CID 5364675) has the molecular formula C38H74O2 and a molecular weight of 563.01 g/mol. Its IUPAC name is (Z)-1-[2-[(Z)-octadec-9-enoxy]ethoxy]octadec-9-ene.

Molecular Properties

Compound Name(Z)-1-[2-[(Z)-octadec-9-enoxy]ethoxy]octadec-9-ene
PubChem CID5364675
Molecular FormulaC38H74O2
Molecular Weight563.01 g/mol
Exact Mass562.57
IUPAC Name(Z)-1-[2-[(Z)-octadec-9-enoxy]ethoxy]octadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCCOCCOCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C38H74O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-37-38-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-38H2,1-2H3/b19-17-,20-18-
InChIKeyHLSUQUJDDMLNMX-CLFAGFIQSA-N
XLogP13.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds35
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.01
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-[(Z)-octadec-9-enoxy]ethoxy]octadec-9-ene?
The IUPAC name of (Z)-1-[2-[(Z)-octadec-9-enoxy]ethoxy]octadec-9-ene (CID 5364675) is (Z)-1-[2-[(Z)-octadec-9-enoxy]ethoxy]octadec-9-ene.
What is the SMILES notation for (Z)-1-[2-[(Z)-octadec-9-enoxy]ethoxy]octadec-9-ene?
The canonical SMILES for (Z)-1-[2-[(Z)-octadec-9-enoxy]ethoxy]octadec-9-ene is CCCCCCCC/C=C\CCCCCCCCOCCOCCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-1-[2-[(Z)-octadec-9-enoxy]ethoxy]octadec-9-ene?
The InChIKey is HLSUQUJDDMLNMX-CLFAGFIQSA-N. The full InChI is InChI=1S/C38H74O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-37-38-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-38H2,1-2H3/b19-17-,20-18-.
What are the key properties of (Z)-1-[2-[(Z)-octadec-9-enoxy]ethoxy]octadec-9-ene?
(Z)-1-[2-[(Z)-octadec-9-enoxy]ethoxy]octadec-9-ene has a molecular weight of 563.01 g/mol, XLogP of 13.09, 35 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-[(Z)-octadec-9-enoxy]ethoxy]octadec-9-ene is sourced from PubChem (CID 5364675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).