4-(ethenoxymethyl)oxane

C8H14O2 — CID 66366363

IUPAC4-(ethenoxymethyl)oxane
SMILESC=COCC1CCOCC1
InChIInChI=1S/C8H14O2/c1-2-9-7-8-3-5-10-6-4-8/h2,8H,1,3-7H2
InChIKeyXHQIVTCVCBJMOV-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.57
Rot. Bonds3

About 4-(ethenoxymethyl)oxane

4-(ethenoxymethyl)oxane (PubChem CID 66366363) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-(ethenoxymethyl)oxane.

Molecular Properties

Compound Name4-(ethenoxymethyl)oxane
PubChem CID66366363
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-(ethenoxymethyl)oxane
SMILESC=COCC1CCOCC1
InChIInChI=1S/C8H14O2/c1-2-9-7-8-3-5-10-6-4-8/h2,8H,1,3-7H2
InChIKeyXHQIVTCVCBJMOV-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(ethenoxymethyl)oxane?
The IUPAC name of 4-(ethenoxymethyl)oxane (CID 66366363) is 4-(ethenoxymethyl)oxane.
What is the SMILES notation for 4-(ethenoxymethyl)oxane?
The canonical SMILES for 4-(ethenoxymethyl)oxane is C=COCC1CCOCC1.
What is the InChIKey of 4-(ethenoxymethyl)oxane?
The InChIKey is XHQIVTCVCBJMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-9-7-8-3-5-10-6-4-8/h2,8H,1,3-7H2.
What are the key properties of 4-(ethenoxymethyl)oxane?
4-(ethenoxymethyl)oxane has a molecular weight of 142.20 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethenoxymethyl)oxane is sourced from PubChem (CID 66366363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).