3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-ene

C18H36O8 — CID 18327886

IUPAC3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-ene
SMILESC=CC(COCCOCCOCCOC)OCCOCCOCCOC
InChIInChI=1S/C18H36O8/c1-4-18(26-16-15-24-12-10-22-8-6-20-3)17-25-14-13-23-11-9-21-7-5-19-2/h4,18H,1,5-17H2,2-3H3
InChIKeySAJNEUMVWZAHFH-UHFFFAOYSA-N
MW380.48 g/mol
LogP0.93
Rot. Bonds22

About 3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-ene

3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-ene (PubChem CID 18327886) has the molecular formula C18H36O8 and a molecular weight of 380.48 g/mol. Its IUPAC name is 3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-ene.

Molecular Properties

Compound Name3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-ene
PubChem CID18327886
Molecular FormulaC18H36O8
Molecular Weight380.48 g/mol
Exact Mass380.24
IUPAC Name3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-ene
SMILESC=CC(COCCOCCOCCOC)OCCOCCOCCOC
InChIInChI=1S/C18H36O8/c1-4-18(26-16-15-24-12-10-22-8-6-20-3)17-25-14-13-23-11-9-21-7-5-19-2/h4,18H,1,5-17H2,2-3H3
InChIKeySAJNEUMVWZAHFH-UHFFFAOYSA-N
XLogP0.93
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

1,12-Dimethyl-6-(prop-2-enoxymethyl)-2,5,8,11,14,17,20,23-octaoxabicyclo[10.6.6]tetracosane
CID 10003795
1,12-Dimethyl-6-(prop-2-enoxymethyl)-2,5,8,11,14,17,20,23,26,29-decaoxabicyclo[10.9.9]triacontane
CID 21782160
2-((2-Propen-1-yloxy)methyl)-1,4,7,10,13,16,19-heptaoxacycloheneicosane
CID 21811785
3,4-Dibutoxybut-1-ene
CID 13442992
2-Ethenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 18327881
3-[2-[2-[2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 18464063
3,4-Diethoxybut-1-ene
CID 19376958
3,4-Dipropoxybut-1-ene
CID 19376981
3-(2-But-3-en-2-yloxyethoxy)but-1-ene
CID 20035855
3,4-Bis[(propan-2-yl)oxy]but-1-ene
CID 20272522
3-Butoxy-4-ethoxybut-1-ene
CID 21757256
1-Prop-2-enoxy-2-[2-[2-(2-prop-2-enoxypropoxy)propoxy]propoxy]propane
CID 22421290

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-ene?
The IUPAC name of 3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-ene (CID 18327886) is 3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-ene.
What is the SMILES notation for 3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-ene?
The canonical SMILES for 3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-ene is C=CC(COCCOCCOCCOC)OCCOCCOCCOC.
What is the InChIKey of 3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-ene?
The InChIKey is SAJNEUMVWZAHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O8/c1-4-18(26-16-15-24-12-10-22-8-6-20-3)17-25-14-13-23-11-9-21-7-5-19-2/h4,18H,1,5-17H2,2-3H3.
What are the key properties of 3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-ene?
3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-ene has a molecular weight of 380.48 g/mol, XLogP of 0.93, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-ene is sourced from PubChem (CID 18327886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).