2-(propa-1,2-dienoxymethyl)oxirane

C6H8O2 — CID 22152495

IUPAC2-(propa-1,2-dienoxymethyl)oxirane
SMILESC=C=COCC1CO1
InChIInChI=1S/C6H8O2/c1-2-3-7-4-6-5-8-6/h3,6H,1,4-5H2
InChIKeyKKWHCAAXSKSMJZ-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.70
Rot. Bonds3

About 2-(propa-1,2-dienoxymethyl)oxirane

2-(propa-1,2-dienoxymethyl)oxirane (PubChem CID 22152495) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-(propa-1,2-dienoxymethyl)oxirane.

Molecular Properties

Compound Name2-(propa-1,2-dienoxymethyl)oxirane
PubChem CID22152495
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name2-(propa-1,2-dienoxymethyl)oxirane
SMILESC=C=COCC1CO1
InChIInChI=1S/C6H8O2/c1-2-3-7-4-6-5-8-6/h3,6H,1,4-5H2
InChIKeyKKWHCAAXSKSMJZ-UHFFFAOYSA-N
XLogP0.70
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(propa-1,2-dienoxymethyl)oxirane?
The IUPAC name of 2-(propa-1,2-dienoxymethyl)oxirane (CID 22152495) is 2-(propa-1,2-dienoxymethyl)oxirane.
What is the SMILES notation for 2-(propa-1,2-dienoxymethyl)oxirane?
The canonical SMILES for 2-(propa-1,2-dienoxymethyl)oxirane is C=C=COCC1CO1.
What is the InChIKey of 2-(propa-1,2-dienoxymethyl)oxirane?
The InChIKey is KKWHCAAXSKSMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-3-7-4-6-5-8-6/h3,6H,1,4-5H2.
What are the key properties of 2-(propa-1,2-dienoxymethyl)oxirane?
2-(propa-1,2-dienoxymethyl)oxirane has a molecular weight of 112.13 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propa-1,2-dienoxymethyl)oxirane is sourced from PubChem (CID 22152495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).