2-[[(E)-but-2-en-2-yl]oxymethyl]oxirane

C7H12O2 — CID 19879883

IUPAC2-[[(E)-but-2-en-2-yl]oxymethyl]oxirane
SMILESC/C=C(\C)OCC1CO1
InChIInChI=1S/C7H12O2/c1-3-6(2)8-4-7-5-9-7/h3,7H,4-5H2,1-2H3/b6-3+
InChIKeyLLYKEHMXABZNQX-ZZXKWVIFSA-N
MW128.17 g/mol
LogP1.33
Rot. Bonds3

About 2-[[(E)-but-2-en-2-yl]oxymethyl]oxirane

2-[[(E)-but-2-en-2-yl]oxymethyl]oxirane (PubChem CID 19879883) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-[[(E)-but-2-en-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[(E)-but-2-en-2-yl]oxymethyl]oxirane
PubChem CID19879883
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-[[(E)-but-2-en-2-yl]oxymethyl]oxirane
SMILESC/C=C(\C)OCC1CO1
InChIInChI=1S/C7H12O2/c1-3-6(2)8-4-7-5-9-7/h3,7H,4-5H2,1-2H3/b6-3+
InChIKeyLLYKEHMXABZNQX-ZZXKWVIFSA-N
XLogP1.33
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.33
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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Related Compounds

1,2-Epoxy-3-(propenyloxy)propane
CID 6436935
2-[(1-Propen-1-yloxy)methyl]oxirane
CID 102656
2-[[(Z)-prop-1-enoxy]methyl]oxirane
CID 11126219
2-(Prop-1-en-2-yloxymethyl)oxirane
CID 12239457
2-[[(1E)-buta-1,3-dienoxy]methyl]oxirane
CID 19079971
2-[[(E)-but-1-enoxy]methyl]oxirane
CID 21225241
2-(2-Methylprop-1-enoxymethyl)oxirane
CID 23043125
2-(But-1-enoxymethyl)oxirane
CID 54184700
2-(Buta-1,3-dienoxymethyl)oxirane
CID 54554442
2-(Pent-2-en-3-yloxymethyl)oxirane
CID 56986343
2-(But-2-en-2-yloxymethyl)oxirane
CID 57285907
2-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxymethyl]oxirane
CID 88932405

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-en-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[(E)-but-2-en-2-yl]oxymethyl]oxirane (CID 19879883) is 2-[[(E)-but-2-en-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[(E)-but-2-en-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[(E)-but-2-en-2-yl]oxymethyl]oxirane is C/C=C(\C)OCC1CO1.
What is the InChIKey of 2-[[(E)-but-2-en-2-yl]oxymethyl]oxirane?
The InChIKey is LLYKEHMXABZNQX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-6(2)8-4-7-5-9-7/h3,7H,4-5H2,1-2H3/b6-3+.
What are the key properties of 2-[[(E)-but-2-en-2-yl]oxymethyl]oxirane?
2-[[(E)-but-2-en-2-yl]oxymethyl]oxirane has a molecular weight of 128.17 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-en-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 19879883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).