11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undec-1-ene

C18H36O4 — CID 59080328

IUPAC11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undec-1-ene
SMILESC=CCCCCCCCCCOCCOCCOCCOC
InChIInChI=1S/C18H36O4/c1-3-4-5-6-7-8-9-10-11-12-20-15-16-22-18-17-21-14-13-19-2/h3H,1,4-18H2,2H3
InChIKeyFGUIEJPCDOYEBG-UHFFFAOYSA-N
MW316.48 g/mol
LogP3.99
Rot. Bonds19

About 11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undec-1-ene

11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undec-1-ene (PubChem CID 59080328) has the molecular formula C18H36O4 and a molecular weight of 316.48 g/mol. Its IUPAC name is 11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undec-1-ene.

Molecular Properties

Compound Name11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undec-1-ene
PubChem CID59080328
Molecular FormulaC18H36O4
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Name11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undec-1-ene
SMILESC=CCCCCCCCCCOCCOCCOCCOC
InChIInChI=1S/C18H36O4/c1-3-4-5-6-7-8-9-10-11-12-20-15-16-22-18-17-21-14-13-19-2/h3H,1,4-18H2,2H3
InChIKeyFGUIEJPCDOYEBG-UHFFFAOYSA-N
XLogP3.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undec-1-ene?
The IUPAC name of 11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undec-1-ene (CID 59080328) is 11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undec-1-ene.
What is the SMILES notation for 11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undec-1-ene?
The canonical SMILES for 11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undec-1-ene is C=CCCCCCCCCCOCCOCCOCCOC.
What is the InChIKey of 11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undec-1-ene?
The InChIKey is FGUIEJPCDOYEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4/c1-3-4-5-6-7-8-9-10-11-12-20-15-16-22-18-17-21-14-13-19-2/h3H,1,4-18H2,2H3.
What are the key properties of 11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undec-1-ene?
11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undec-1-ene has a molecular weight of 316.48 g/mol, XLogP of 3.99, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undec-1-ene is sourced from PubChem (CID 59080328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).