4-ethylideneoxane

C7H12O — CID 22965782

IUPAC4-ethylideneoxane
SMILESCC=C1CCOCC1
InChIInChI=1S/C7H12O/c1-2-7-3-5-8-6-4-7/h2H,3-6H2,1H3
InChIKeyCHHRZBYYDKQUJV-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.74
Rot. Bonds

About 4-ethylideneoxane

4-ethylideneoxane (PubChem CID 22965782) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 4-ethylideneoxane.

Molecular Properties

Compound Name4-ethylideneoxane
PubChem CID22965782
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name4-ethylideneoxane
SMILESCC=C1CCOCC1
InChIInChI=1S/C7H12O/c1-2-7-3-5-8-6-4-7/h2H,3-6H2,1H3
InChIKeyCHHRZBYYDKQUJV-UHFFFAOYSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylideneoxane?
The IUPAC name of 4-ethylideneoxane (CID 22965782) is 4-ethylideneoxane.
What is the SMILES notation for 4-ethylideneoxane?
The canonical SMILES for 4-ethylideneoxane is CC=C1CCOCC1.
What is the InChIKey of 4-ethylideneoxane?
The InChIKey is CHHRZBYYDKQUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-2-7-3-5-8-6-4-7/h2H,3-6H2,1H3.
What are the key properties of 4-ethylideneoxane?
4-ethylideneoxane has a molecular weight of 112.17 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylideneoxane is sourced from PubChem (CID 22965782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).