2-[(Z)-2-ethenoxybut-2-enoxy]oxane

C11H18O3 — CID 138710335

IUPAC2-[(Z)-2-ethenoxybut-2-enoxy]oxane
SMILESC=CO/C(=C\C)COC1CCCCO1
InChIInChI=1S/C11H18O3/c1-3-10(12-4-2)9-14-11-7-5-6-8-13-11/h3-4,11H,2,5-9H2,1H3/b10-3-
InChIKeyXEJLBDBHPZAGMQ-KMKOMSMNSA-N
MW198.26 g/mol
LogP2.59
Rot. Bonds5

About 2-[(Z)-2-ethenoxybut-2-enoxy]oxane

2-[(Z)-2-ethenoxybut-2-enoxy]oxane (PubChem CID 138710335) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-[(Z)-2-ethenoxybut-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-2-ethenoxybut-2-enoxy]oxane
PubChem CID138710335
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-[(Z)-2-ethenoxybut-2-enoxy]oxane
SMILESC=CO/C(=C\C)COC1CCCCO1
InChIInChI=1S/C11H18O3/c1-3-10(12-4-2)9-14-11-7-5-6-8-13-11/h3-4,11H,2,5-9H2,1H3/b10-3-
InChIKeyXEJLBDBHPZAGMQ-KMKOMSMNSA-N
XLogP2.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[(Z)-2-ethenoxybut-2-enoxy]oxane?
The IUPAC name of 2-[(Z)-2-ethenoxybut-2-enoxy]oxane (CID 138710335) is 2-[(Z)-2-ethenoxybut-2-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-2-ethenoxybut-2-enoxy]oxane?
The canonical SMILES for 2-[(Z)-2-ethenoxybut-2-enoxy]oxane is C=CO/C(=C\C)COC1CCCCO1.
What is the InChIKey of 2-[(Z)-2-ethenoxybut-2-enoxy]oxane?
The InChIKey is XEJLBDBHPZAGMQ-KMKOMSMNSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-10(12-4-2)9-14-11-7-5-6-8-13-11/h3-4,11H,2,5-9H2,1H3/b10-3-.
What are the key properties of 2-[(Z)-2-ethenoxybut-2-enoxy]oxane?
2-[(Z)-2-ethenoxybut-2-enoxy]oxane has a molecular weight of 198.26 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-ethenoxybut-2-enoxy]oxane is sourced from PubChem (CID 138710335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).