2-[1-[(E)-prop-1-enoxy]ethyl]oxirane

C7H12O2 — CID 176604712

IUPAC2-[1-[(E)-prop-1-enoxy]ethyl]oxirane
SMILESC/C=C/OC(C)C1CO1
InChIInChI=1S/C7H12O2/c1-3-4-8-6(2)7-5-9-7/h3-4,6-7H,5H2,1-2H3/b4-3+
InChIKeyDRIROXLKKKXORX-ONEGZZNKSA-N
MW128.17 g/mol
LogP1.32
Rot. Bonds3

About 2-[1-[(E)-prop-1-enoxy]ethyl]oxirane

2-[1-[(E)-prop-1-enoxy]ethyl]oxirane (PubChem CID 176604712) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-[1-[(E)-prop-1-enoxy]ethyl]oxirane.

Molecular Properties

Compound Name2-[1-[(E)-prop-1-enoxy]ethyl]oxirane
PubChem CID176604712
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-[1-[(E)-prop-1-enoxy]ethyl]oxirane
SMILESC/C=C/OC(C)C1CO1
InChIInChI=1S/C7H12O2/c1-3-4-8-6(2)7-5-9-7/h3-4,6-7H,5H2,1-2H3/b4-3+
InChIKeyDRIROXLKKKXORX-ONEGZZNKSA-N
XLogP1.32
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 ≤ 51.32
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
1,2,3-Tris(1-propenoxy)propane
CID 53719872
2-(1-Ethenoxyethyl)oxirane
CID 18937463
2-[[(1E)-buta-1,3-dienoxy]methyl]oxirane
CID 19079971
2-[[(E)-but-1-enoxy]methyl]oxirane
CID 21225241
1,2,3-tris[(E)-prop-1-enoxy]propane
CID 22051876
2-(2-Methylprop-1-enoxymethyl)oxirane
CID 23043125
2-(2-Prop-1-enoxyethyl)oxirane
CID 53632972
2,2-Dimethyl-3-(prop-1-enoxymethyl)oxirane
CID 54050941
2-(But-1-enoxymethyl)oxirane
CID 54184700

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-prop-1-enoxy]ethyl]oxirane?
The IUPAC name of 2-[1-[(E)-prop-1-enoxy]ethyl]oxirane (CID 176604712) is 2-[1-[(E)-prop-1-enoxy]ethyl]oxirane.
What is the SMILES notation for 2-[1-[(E)-prop-1-enoxy]ethyl]oxirane?
The canonical SMILES for 2-[1-[(E)-prop-1-enoxy]ethyl]oxirane is C/C=C/OC(C)C1CO1.
What is the InChIKey of 2-[1-[(E)-prop-1-enoxy]ethyl]oxirane?
The InChIKey is DRIROXLKKKXORX-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-8-6(2)7-5-9-7/h3-4,6-7H,5H2,1-2H3/b4-3+.
What are the key properties of 2-[1-[(E)-prop-1-enoxy]ethyl]oxirane?
2-[1-[(E)-prop-1-enoxy]ethyl]oxirane has a molecular weight of 128.17 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-prop-1-enoxy]ethyl]oxirane is sourced from PubChem (CID 176604712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).