2-(4-ethenoxybutyl)oxane

C11H20O2 — CID 156762670

IUPAC2-(4-ethenoxybutyl)oxane
SMILESC=COCCCCC1CCCCO1
InChIInChI=1S/C11H20O2/c1-2-12-9-5-3-7-11-8-4-6-10-13-11/h2,11H,1,3-10H2
InChIKeyLWFVLVGLPUZWBF-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds6

About 2-(4-ethenoxybutyl)oxane

2-(4-ethenoxybutyl)oxane (PubChem CID 156762670) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(4-ethenoxybutyl)oxane.

Molecular Properties

Compound Name2-(4-ethenoxybutyl)oxane
PubChem CID156762670
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(4-ethenoxybutyl)oxane
SMILESC=COCCCCC1CCCCO1
InChIInChI=1S/C11H20O2/c1-2-12-9-5-3-7-11-8-4-6-10-13-11/h2,11H,1,3-10H2
InChIKeyLWFVLVGLPUZWBF-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenoxybutyl)oxane?
The IUPAC name of 2-(4-ethenoxybutyl)oxane (CID 156762670) is 2-(4-ethenoxybutyl)oxane.
What is the SMILES notation for 2-(4-ethenoxybutyl)oxane?
The canonical SMILES for 2-(4-ethenoxybutyl)oxane is C=COCCCCC1CCCCO1.
What is the InChIKey of 2-(4-ethenoxybutyl)oxane?
The InChIKey is LWFVLVGLPUZWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-12-9-5-3-7-11-8-4-6-10-13-11/h2,11H,1,3-10H2.
What are the key properties of 2-(4-ethenoxybutyl)oxane?
2-(4-ethenoxybutyl)oxane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenoxybutyl)oxane is sourced from PubChem (CID 156762670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).