4-methoxy-3-(2-methoxyethoxymethyl)-1-[4-methoxy-3-(2-methoxyethoxymethyl)but-1-enoxy]but-1-ene

C18H34O7 — CID 175001300

IUPAC4-methoxy-3-(2-methoxyethoxymethyl)-1-[4-methoxy-3-(2-methoxyethoxymethyl)but-1-enoxy]but-1-ene
SMILESCOCCOCC(C=COC=CC(COC)COCCOC)COC
InChIInChI=1S/C18H34O7/c1-19-9-11-24-15-17(13-21-3)5-7-23-8-6-18(14-22-4)16-25-12-10-20-2/h5-8,17-18H,9-16H2,1-4H3
InChIKeyWKYOEVANZLPSIJ-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.88
Rot. Bonds18

About 4-methoxy-3-(2-methoxyethoxymethyl)-1-[4-methoxy-3-(2-methoxyethoxymethyl)but-1-enoxy]but-1-ene

4-methoxy-3-(2-methoxyethoxymethyl)-1-[4-methoxy-3-(2-methoxyethoxymethyl)but-1-enoxy]but-1-ene (PubChem CID 175001300) has the molecular formula C18H34O7 and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-methoxy-3-(2-methoxyethoxymethyl)-1-[4-methoxy-3-(2-methoxyethoxymethyl)but-1-enoxy]but-1-ene.

Molecular Properties

Compound Name4-methoxy-3-(2-methoxyethoxymethyl)-1-[4-methoxy-3-(2-methoxyethoxymethyl)but-1-enoxy]but-1-ene
PubChem CID175001300
Molecular FormulaC18H34O7
Molecular Weight362.46 g/mol
Exact Mass362.23
IUPAC Name4-methoxy-3-(2-methoxyethoxymethyl)-1-[4-methoxy-3-(2-methoxyethoxymethyl)but-1-enoxy]but-1-ene
SMILESCOCCOCC(C=COC=CC(COC)COCCOC)COC
InChIInChI=1S/C18H34O7/c1-19-9-11-24-15-17(13-21-3)5-7-23-8-6-18(14-22-4)16-25-12-10-20-2/h5-8,17-18H,9-16H2,1-4H3
InChIKeyWKYOEVANZLPSIJ-UHFFFAOYSA-N
XLogP1.88
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-methoxyethoxymethyl)-1-[4-methoxy-3-(2-methoxyethoxymethyl)but-1-enoxy]but-1-ene?
The IUPAC name of 4-methoxy-3-(2-methoxyethoxymethyl)-1-[4-methoxy-3-(2-methoxyethoxymethyl)but-1-enoxy]but-1-ene (CID 175001300) is 4-methoxy-3-(2-methoxyethoxymethyl)-1-[4-methoxy-3-(2-methoxyethoxymethyl)but-1-enoxy]but-1-ene.
What is the SMILES notation for 4-methoxy-3-(2-methoxyethoxymethyl)-1-[4-methoxy-3-(2-methoxyethoxymethyl)but-1-enoxy]but-1-ene?
The canonical SMILES for 4-methoxy-3-(2-methoxyethoxymethyl)-1-[4-methoxy-3-(2-methoxyethoxymethyl)but-1-enoxy]but-1-ene is COCCOCC(C=COC=CC(COC)COCCOC)COC.
What is the InChIKey of 4-methoxy-3-(2-methoxyethoxymethyl)-1-[4-methoxy-3-(2-methoxyethoxymethyl)but-1-enoxy]but-1-ene?
The InChIKey is WKYOEVANZLPSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O7/c1-19-9-11-24-15-17(13-21-3)5-7-23-8-6-18(14-22-4)16-25-12-10-20-2/h5-8,17-18H,9-16H2,1-4H3.
What are the key properties of 4-methoxy-3-(2-methoxyethoxymethyl)-1-[4-methoxy-3-(2-methoxyethoxymethyl)but-1-enoxy]but-1-ene?
4-methoxy-3-(2-methoxyethoxymethyl)-1-[4-methoxy-3-(2-methoxyethoxymethyl)but-1-enoxy]but-1-ene has a molecular weight of 362.46 g/mol, XLogP of 1.88, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-methoxyethoxymethyl)-1-[4-methoxy-3-(2-methoxyethoxymethyl)but-1-enoxy]but-1-ene is sourced from PubChem (CID 175001300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).