(E)-4-[2-[2-[1-[(E)-4-hydroxybut-2-enoxy]but-3-en-2-yloxy]ethoxy]but-3-enoxy]but-2-en-1-ol

C18H30O6 — CID 23381948

IUPAC(E)-4-[2-[2-[1-[(E)-4-hydroxybut-2-enoxy]but-3-en-2-yloxy]ethoxy]but-3-enoxy]but-2-en-1-ol
SMILESC=CC(COC/C=C/CO)OCCOC(C=C)COC/C=C/CO
InChIInChI=1S/C18H30O6/c1-3-17(15-21-11-7-5-9-19)23-13-14-24-18(4-2)16-22-12-8-6-10-20/h3-8,17-20H,1-2,9-16H2/b7-5+,8-6+
InChIKeyHTSDYVZFEYYBQU-KQQUZDAGSA-N
MW342.43 g/mol
LogP1.26
Rot. Bonds17

About (E)-4-[2-[2-[1-[(E)-4-hydroxybut-2-enoxy]but-3-en-2-yloxy]ethoxy]but-3-enoxy]but-2-en-1-ol

(E)-4-[2-[2-[1-[(E)-4-hydroxybut-2-enoxy]but-3-en-2-yloxy]ethoxy]but-3-enoxy]but-2-en-1-ol (PubChem CID 23381948) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is (E)-4-[2-[2-[1-[(E)-4-hydroxybut-2-enoxy]but-3-en-2-yloxy]ethoxy]but-3-enoxy]but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[2-[2-[1-[(E)-4-hydroxybut-2-enoxy]but-3-en-2-yloxy]ethoxy]but-3-enoxy]but-2-en-1-ol
PubChem CID23381948
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name(E)-4-[2-[2-[1-[(E)-4-hydroxybut-2-enoxy]but-3-en-2-yloxy]ethoxy]but-3-enoxy]but-2-en-1-ol
SMILESC=CC(COC/C=C/CO)OCCOC(C=C)COC/C=C/CO
InChIInChI=1S/C18H30O6/c1-3-17(15-21-11-7-5-9-19)23-13-14-24-18(4-2)16-22-12-8-6-10-20/h3-8,17-20H,1-2,9-16H2/b7-5+,8-6+
InChIKeyHTSDYVZFEYYBQU-KQQUZDAGSA-N
XLogP1.26
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-4-[2-[2-[1-[(E)-4-hydroxybut-2-enoxy]but-3-en-2-yloxy]ethoxy]but-3-enoxy]but-2-en-1-ol 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)-4-[2-[2-[1-[(E)-4-hydroxybut-2-enoxy]but-3-en-2-yloxy]ethoxy]but-3-enoxy]but-2-en-1-ol?
The IUPAC name of (E)-4-[2-[2-[1-[(E)-4-hydroxybut-2-enoxy]but-3-en-2-yloxy]ethoxy]but-3-enoxy]but-2-en-1-ol (CID 23381948) is (E)-4-[2-[2-[1-[(E)-4-hydroxybut-2-enoxy]but-3-en-2-yloxy]ethoxy]but-3-enoxy]but-2-en-1-ol.
What is the SMILES notation for (E)-4-[2-[2-[1-[(E)-4-hydroxybut-2-enoxy]but-3-en-2-yloxy]ethoxy]but-3-enoxy]but-2-en-1-ol?
The canonical SMILES for (E)-4-[2-[2-[1-[(E)-4-hydroxybut-2-enoxy]but-3-en-2-yloxy]ethoxy]but-3-enoxy]but-2-en-1-ol is C=CC(COC/C=C/CO)OCCOC(C=C)COC/C=C/CO.
What is the InChIKey of (E)-4-[2-[2-[1-[(E)-4-hydroxybut-2-enoxy]but-3-en-2-yloxy]ethoxy]but-3-enoxy]but-2-en-1-ol?
The InChIKey is HTSDYVZFEYYBQU-KQQUZDAGSA-N. The full InChI is InChI=1S/C18H30O6/c1-3-17(15-21-11-7-5-9-19)23-13-14-24-18(4-2)16-22-12-8-6-10-20/h3-8,17-20H,1-2,9-16H2/b7-5+,8-6+.
What are the key properties of (E)-4-[2-[2-[1-[(E)-4-hydroxybut-2-enoxy]but-3-en-2-yloxy]ethoxy]but-3-enoxy]but-2-en-1-ol?
(E)-4-[2-[2-[1-[(E)-4-hydroxybut-2-enoxy]but-3-en-2-yloxy]ethoxy]but-3-enoxy]but-2-en-1-ol has a molecular weight of 342.43 g/mol, XLogP of 1.26, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-[2-[1-[(E)-4-hydroxybut-2-enoxy]but-3-en-2-yloxy]ethoxy]but-3-enoxy]but-2-en-1-ol is sourced from PubChem (CID 23381948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).