(E)-3-(2-methoxyethoxy)-1-[(E)-3-(2-methoxyethoxy)but-1-enoxy]but-1-ene

C14H26O5 — CID 87143108

IUPAC(E)-3-(2-methoxyethoxy)-1-[(E)-3-(2-methoxyethoxy)but-1-enoxy]but-1-ene
SMILESCOCCOC(C)/C=C/O/C=C/C(C)OCCOC
InChIInChI=1S/C14H26O5/c1-13(18-11-9-15-3)5-7-17-8-6-14(2)19-12-10-16-4/h5-8,13-14H,9-12H2,1-4H3/b7-5+,8-6+
InChIKeyRANZTVUNYAMEOX-KQQUZDAGSA-N
MW274.36 g/mol
LogP2.13
Rot. Bonds12

About (E)-3-(2-methoxyethoxy)-1-[(E)-3-(2-methoxyethoxy)but-1-enoxy]but-1-ene

(E)-3-(2-methoxyethoxy)-1-[(E)-3-(2-methoxyethoxy)but-1-enoxy]but-1-ene (PubChem CID 87143108) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is (E)-3-(2-methoxyethoxy)-1-[(E)-3-(2-methoxyethoxy)but-1-enoxy]but-1-ene.

Molecular Properties

Compound Name(E)-3-(2-methoxyethoxy)-1-[(E)-3-(2-methoxyethoxy)but-1-enoxy]but-1-ene
PubChem CID87143108
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name(E)-3-(2-methoxyethoxy)-1-[(E)-3-(2-methoxyethoxy)but-1-enoxy]but-1-ene
SMILESCOCCOC(C)/C=C/O/C=C/C(C)OCCOC
InChIInChI=1S/C14H26O5/c1-13(18-11-9-15-3)5-7-17-8-6-14(2)19-12-10-16-4/h5-8,13-14H,9-12H2,1-4H3/b7-5+,8-6+
InChIKeyRANZTVUNYAMEOX-KQQUZDAGSA-N
XLogP2.13
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(2-methoxyethoxy)-1-[(E)-3-(2-methoxyethoxy)but-1-enoxy]but-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyethoxy)-1-[(E)-3-(2-methoxyethoxy)but-1-enoxy]but-1-ene?
The IUPAC name of (E)-3-(2-methoxyethoxy)-1-[(E)-3-(2-methoxyethoxy)but-1-enoxy]but-1-ene (CID 87143108) is (E)-3-(2-methoxyethoxy)-1-[(E)-3-(2-methoxyethoxy)but-1-enoxy]but-1-ene.
What is the SMILES notation for (E)-3-(2-methoxyethoxy)-1-[(E)-3-(2-methoxyethoxy)but-1-enoxy]but-1-ene?
The canonical SMILES for (E)-3-(2-methoxyethoxy)-1-[(E)-3-(2-methoxyethoxy)but-1-enoxy]but-1-ene is COCCOC(C)/C=C/O/C=C/C(C)OCCOC.
What is the InChIKey of (E)-3-(2-methoxyethoxy)-1-[(E)-3-(2-methoxyethoxy)but-1-enoxy]but-1-ene?
The InChIKey is RANZTVUNYAMEOX-KQQUZDAGSA-N. The full InChI is InChI=1S/C14H26O5/c1-13(18-11-9-15-3)5-7-17-8-6-14(2)19-12-10-16-4/h5-8,13-14H,9-12H2,1-4H3/b7-5+,8-6+.
What are the key properties of (E)-3-(2-methoxyethoxy)-1-[(E)-3-(2-methoxyethoxy)but-1-enoxy]but-1-ene?
(E)-3-(2-methoxyethoxy)-1-[(E)-3-(2-methoxyethoxy)but-1-enoxy]but-1-ene has a molecular weight of 274.36 g/mol, XLogP of 2.13, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyethoxy)-1-[(E)-3-(2-methoxyethoxy)but-1-enoxy]but-1-ene is sourced from PubChem (CID 87143108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).