4-(2-methoxyethylidene)oxane

C8H14O2 — CID 13099548

IUPAC4-(2-methoxyethylidene)oxane
SMILESCOCC=C1CCOCC1
InChIInChI=1S/C8H14O2/c1-9-5-2-8-3-6-10-7-4-8/h2H,3-7H2,1H3
InChIKeyNCXBGMQCELKWND-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.37
Rot. Bonds2

About 4-(2-methoxyethylidene)oxane

4-(2-methoxyethylidene)oxane (PubChem CID 13099548) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-(2-methoxyethylidene)oxane.

Molecular Properties

Compound Name4-(2-methoxyethylidene)oxane
PubChem CID13099548
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-(2-methoxyethylidene)oxane
SMILESCOCC=C1CCOCC1
InChIInChI=1S/C8H14O2/c1-9-5-2-8-3-6-10-7-4-8/h2H,3-7H2,1H3
InChIKeyNCXBGMQCELKWND-UHFFFAOYSA-N
XLogP1.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-methoxyethylidene)oxane?
The IUPAC name of 4-(2-methoxyethylidene)oxane (CID 13099548) is 4-(2-methoxyethylidene)oxane.
What is the SMILES notation for 4-(2-methoxyethylidene)oxane?
The canonical SMILES for 4-(2-methoxyethylidene)oxane is COCC=C1CCOCC1.
What is the InChIKey of 4-(2-methoxyethylidene)oxane?
The InChIKey is NCXBGMQCELKWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-9-5-2-8-3-6-10-7-4-8/h2H,3-7H2,1H3.
What are the key properties of 4-(2-methoxyethylidene)oxane?
4-(2-methoxyethylidene)oxane has a molecular weight of 142.20 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylidene)oxane is sourced from PubChem (CID 13099548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).