4-(3-hydroxy-4-methoxybut-1-enoxy)-1-methoxybut-3-en-2-ol

C10H18O5 — CID 152716144

IUPAC4-(3-hydroxy-4-methoxybut-1-enoxy)-1-methoxybut-3-en-2-ol
SMILESCOCC(O)C=COC=CC(O)COC
InChIInChI=1S/C10H18O5/c1-13-7-9(11)3-5-15-6-4-10(12)8-14-2/h3-6,9-12H,7-8H2,1-2H3
InChIKeyZUQLLNWZPUXLKY-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.05
Rot. Bonds8

About 4-(3-hydroxy-4-methoxybut-1-enoxy)-1-methoxybut-3-en-2-ol

4-(3-hydroxy-4-methoxybut-1-enoxy)-1-methoxybut-3-en-2-ol (PubChem CID 152716144) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methoxybut-1-enoxy)-1-methoxybut-3-en-2-ol.

Molecular Properties

Compound Name4-(3-hydroxy-4-methoxybut-1-enoxy)-1-methoxybut-3-en-2-ol
PubChem CID152716144
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name4-(3-hydroxy-4-methoxybut-1-enoxy)-1-methoxybut-3-en-2-ol
SMILESCOCC(O)C=COC=CC(O)COC
InChIInChI=1S/C10H18O5/c1-13-7-9(11)3-5-15-6-4-10(12)8-14-2/h3-6,9-12H,7-8H2,1-2H3
InChIKeyZUQLLNWZPUXLKY-UHFFFAOYSA-N
XLogP0.05
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methoxybut-1-enoxy)-1-methoxybut-3-en-2-ol?
The IUPAC name of 4-(3-hydroxy-4-methoxybut-1-enoxy)-1-methoxybut-3-en-2-ol (CID 152716144) is 4-(3-hydroxy-4-methoxybut-1-enoxy)-1-methoxybut-3-en-2-ol.
What is the SMILES notation for 4-(3-hydroxy-4-methoxybut-1-enoxy)-1-methoxybut-3-en-2-ol?
The canonical SMILES for 4-(3-hydroxy-4-methoxybut-1-enoxy)-1-methoxybut-3-en-2-ol is COCC(O)C=COC=CC(O)COC.
What is the InChIKey of 4-(3-hydroxy-4-methoxybut-1-enoxy)-1-methoxybut-3-en-2-ol?
The InChIKey is ZUQLLNWZPUXLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-13-7-9(11)3-5-15-6-4-10(12)8-14-2/h3-6,9-12H,7-8H2,1-2H3.
What are the key properties of 4-(3-hydroxy-4-methoxybut-1-enoxy)-1-methoxybut-3-en-2-ol?
4-(3-hydroxy-4-methoxybut-1-enoxy)-1-methoxybut-3-en-2-ol has a molecular weight of 218.25 g/mol, XLogP of 0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methoxybut-1-enoxy)-1-methoxybut-3-en-2-ol is sourced from PubChem (CID 152716144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).