1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane

C20H35FO6 — CID 125489573

IUPAC1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane
SMILESC=CCOCC(COCC=C)(COCC=C)COCCOCCOCCF
InChIInChI=1S/C20H35FO6/c1-4-8-24-16-20(17-25-9-5-2,18-26-10-6-3)19-27-15-14-23-13-12-22-11-7-21/h4-6H,1-3,7-19H2
InChIKeyBQDDWYYLHMZLTO-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.60
Rot. Bonds22

About 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane

1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane (PubChem CID 125489573) has the molecular formula C20H35FO6 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane.

Molecular Properties

Compound Name1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane
PubChem CID125489573
Molecular FormulaC20H35FO6
Molecular Weight390.49 g/mol
Exact Mass390.24
IUPAC Name1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane
SMILESC=CCOCC(COCC=C)(COCC=C)COCCOCCOCCF
InChIInChI=1S/C20H35FO6/c1-4-8-24-16-20(17-25-9-5-2,18-26-10-6-3)19-27-15-14-23-13-12-22-11-7-21/h4-6H,1-3,7-19H2
InChIKeyBQDDWYYLHMZLTO-UHFFFAOYSA-N
XLogP2.60
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
2-[2-[2-[2-[2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-3-prop-2-enoxypropoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 123473383
3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol
CID 101473517
3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate
CID 141198690
2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
2-(hydroxymethyl)-2-[[2-(hydroxymethyl)-2-[[2-(hydroxymethyl)-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propoxy]methyl]-3-prop-2-enoxypropoxy]methyl]propane-1,3-diol
CID 170562720
6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene
CID 177402979
[2,2-bis(prop-2-enoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 155625651
1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane
CID 159060039
2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2,2-bis[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethanamine;methane
CID 158951566
2,2-bis(prop-2-enoxymethyl)butan-1-ol;titanium(3+)
CID 175725412

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane?
The IUPAC name of 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane (CID 125489573) is 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane.
What is the SMILES notation for 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane?
The canonical SMILES for 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane is C=CCOCC(COCC=C)(COCC=C)COCCOCCOCCF.
What is the InChIKey of 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane?
The InChIKey is BQDDWYYLHMZLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35FO6/c1-4-8-24-16-20(17-25-9-5-2,18-26-10-6-3)19-27-15-14-23-13-12-22-11-7-21/h4-6H,1-3,7-19H2.
What are the key properties of 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane?
1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane has a molecular weight of 390.49 g/mol, XLogP of 2.60, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane is sourced from PubChem (CID 125489573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).