(E)-4-[2-(2-methoxybut-3-enoxy)but-3-enoxy]but-2-en-1-ol

C13H22O4 — CID 23381949

IUPAC(E)-4-[2-(2-methoxybut-3-enoxy)but-3-enoxy]but-2-en-1-ol
SMILESC=CC(COC(C=C)COC/C=C/CO)OC
InChIInChI=1S/C13H22O4/c1-4-12(15-3)11-17-13(5-2)10-16-9-7-6-8-14/h4-7,12-14H,1-2,8-11H2,3H3/b7-6+
InChIKeyKICHJPXHINKDPQ-VOTSOKGWSA-N
MW242.31 g/mol
LogP1.32
Rot. Bonds11

About (E)-4-[2-(2-methoxybut-3-enoxy)but-3-enoxy]but-2-en-1-ol

(E)-4-[2-(2-methoxybut-3-enoxy)but-3-enoxy]but-2-en-1-ol (PubChem CID 23381949) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is (E)-4-[2-(2-methoxybut-3-enoxy)but-3-enoxy]but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[2-(2-methoxybut-3-enoxy)but-3-enoxy]but-2-en-1-ol
PubChem CID23381949
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(E)-4-[2-(2-methoxybut-3-enoxy)but-3-enoxy]but-2-en-1-ol
SMILESC=CC(COC(C=C)COC/C=C/CO)OC
InChIInChI=1S/C13H22O4/c1-4-12(15-3)11-17-13(5-2)10-16-9-7-6-8-14/h4-7,12-14H,1-2,8-11H2,3H3/b7-6+
InChIKeyKICHJPXHINKDPQ-VOTSOKGWSA-N
XLogP1.32
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-(2-methoxybut-3-enoxy)but-3-enoxy]but-2-en-1-ol?
The IUPAC name of (E)-4-[2-(2-methoxybut-3-enoxy)but-3-enoxy]but-2-en-1-ol (CID 23381949) is (E)-4-[2-(2-methoxybut-3-enoxy)but-3-enoxy]but-2-en-1-ol.
What is the SMILES notation for (E)-4-[2-(2-methoxybut-3-enoxy)but-3-enoxy]but-2-en-1-ol?
The canonical SMILES for (E)-4-[2-(2-methoxybut-3-enoxy)but-3-enoxy]but-2-en-1-ol is C=CC(COC(C=C)COC/C=C/CO)OC.
What is the InChIKey of (E)-4-[2-(2-methoxybut-3-enoxy)but-3-enoxy]but-2-en-1-ol?
The InChIKey is KICHJPXHINKDPQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H22O4/c1-4-12(15-3)11-17-13(5-2)10-16-9-7-6-8-14/h4-7,12-14H,1-2,8-11H2,3H3/b7-6+.
What are the key properties of (E)-4-[2-(2-methoxybut-3-enoxy)but-3-enoxy]but-2-en-1-ol?
(E)-4-[2-(2-methoxybut-3-enoxy)but-3-enoxy]but-2-en-1-ol has a molecular weight of 242.31 g/mol, XLogP of 1.32, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-(2-methoxybut-3-enoxy)but-3-enoxy]but-2-en-1-ol is sourced from PubChem (CID 23381949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).