3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene

C22H42O9 — CID 11419564

IUPAC3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
SMILESC=CCOCCOCCOCCOCCOCCOCCOCCOCCOCC=C
InChIInChI=1S/C22H42O9/c1-3-5-23-7-9-25-11-13-27-15-17-29-19-21-31-22-20-30-18-16-28-14-12-26-10-8-24-6-4-2/h3-4H,1-2,5-22H2
InChIKeyYXGGWUMWQZPHOK-UHFFFAOYSA-N
MW450.57 g/mol
LogP1.51
Rot. Bonds28

About 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene

3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene (PubChem CID 11419564) has the molecular formula C22H42O9 and a molecular weight of 450.57 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
PubChem CID11419564
Molecular FormulaC22H42O9
Molecular Weight450.57 g/mol
Exact Mass450.28
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
SMILESC=CCOCCOCCOCCOCCOCCOCCOCCOCCOCC=C
InChIInChI=1S/C22H42O9/c1-3-5-23-7-9-25-11-13-27-15-17-29-19-21-31-22-20-30-18-16-28-14-12-26-10-8-24-6-4-2/h3-4H,1-2,5-22H2
InChIKeyYXGGWUMWQZPHOK-UHFFFAOYSA-N
XLogP1.51
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene?
The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene (CID 11419564) is 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene?
The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene is C=CCOCCOCCOCCOCCOCCOCCOCCOCCOCC=C.
What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene?
The InChIKey is YXGGWUMWQZPHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O9/c1-3-5-23-7-9-25-11-13-27-15-17-29-19-21-31-22-20-30-18-16-28-14-12-26-10-8-24-6-4-2/h3-4H,1-2,5-22H2.
What are the key properties of 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene?
3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene has a molecular weight of 450.57 g/mol, XLogP of 1.51, 28 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene is sourced from PubChem (CID 11419564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).