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

C7H12O2 — CID 176603662

IUPAC2-[2-[(E)-prop-1-enoxy]ethyl]oxirane
SMILESC/C=C/OCCC1CO1
InChIInChI=1S/C7H12O2/c1-2-4-8-5-3-7-6-9-7/h2,4,7H,3,5-6H2,1H3/b4-2+
InChIKeyAATFDROEJCEPGD-DUXPYHPUSA-N
MW128.17 g/mol
LogP1.33
Rot. Bonds4

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

2-[2-[(E)-prop-1-enoxy]ethyl]oxirane (PubChem CID 176603662) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-[2-[(E)-prop-1-enoxy]ethyl]oxirane.

Molecular Properties

Compound Name2-[2-[(E)-prop-1-enoxy]ethyl]oxirane
PubChem CID176603662
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-[2-[(E)-prop-1-enoxy]ethyl]oxirane
SMILESC/C=C/OCCC1CO1
InChIInChI=1S/C7H12O2/c1-2-4-8-5-3-7-6-9-7/h2,4,7H,3,5-6H2,1H3/b4-2+
InChIKeyAATFDROEJCEPGD-DUXPYHPUSA-N
XLogP1.33
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', '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-(2-Prop-1-enoxyethyl)oxirane
CID 53632972
2-(2-Buta-1,3-dienoxyethyl)oxirane
CID 89757983
2-(4-Prop-1-enoxybutoxymethyl)oxirane
CID 139917764
2-(1-Prop-1-enoxypropan-2-yl)oxirane
CID 149825797
2-Methyl-3-(prop-1-enoxymethyl)oxirane
CID 161018068
2-[2-(2-Methylprop-1-enoxy)ethyl]oxirane
CID 176604308
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane
CID 176604577
2-[1-[(E)-prop-1-enoxy]ethyl]oxirane
CID 176604712

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-prop-1-enoxy]ethyl]oxirane?
The IUPAC name of 2-[2-[(E)-prop-1-enoxy]ethyl]oxirane (CID 176603662) is 2-[2-[(E)-prop-1-enoxy]ethyl]oxirane.
What is the SMILES notation for 2-[2-[(E)-prop-1-enoxy]ethyl]oxirane?
The canonical SMILES for 2-[2-[(E)-prop-1-enoxy]ethyl]oxirane is C/C=C/OCCC1CO1.
What is the InChIKey of 2-[2-[(E)-prop-1-enoxy]ethyl]oxirane?
The InChIKey is AATFDROEJCEPGD-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-4-8-5-3-7-6-9-7/h2,4,7H,3,5-6H2,1H3/b4-2+.
What are the key properties of 2-[2-[(E)-prop-1-enoxy]ethyl]oxirane?
2-[2-[(E)-prop-1-enoxy]ethyl]oxirane has a molecular weight of 128.17 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-prop-1-enoxy]ethyl]oxirane is sourced from PubChem (CID 176603662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).