2-[3-[(E)-prop-1-enoxy]propyl]oxirane

C8H14O2 — CID 176603243

IUPAC2-[3-[(E)-prop-1-enoxy]propyl]oxirane
SMILESC/C=C/OCCCC1CO1
InChIInChI=1S/C8H14O2/c1-2-5-9-6-3-4-8-7-10-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyXUJKVKCYBCOMCW-GORDUTHDSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds5

About 2-[3-[(E)-prop-1-enoxy]propyl]oxirane

2-[3-[(E)-prop-1-enoxy]propyl]oxirane (PubChem CID 176603243) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-[3-[(E)-prop-1-enoxy]propyl]oxirane.

Molecular Properties

Compound Name2-[3-[(E)-prop-1-enoxy]propyl]oxirane
PubChem CID176603243
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-[3-[(E)-prop-1-enoxy]propyl]oxirane
SMILESC/C=C/OCCCC1CO1
InChIInChI=1S/C8H14O2/c1-2-5-9-6-3-4-8-7-10-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyXUJKVKCYBCOMCW-GORDUTHDSA-N
XLogP1.72
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.72
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

2-(4-Prop-1-enoxybutyl)oxirane
CID 53739643
2-(1-Prop-1-enoxypentan-3-yl)oxirane
CID 149823673
2-(4-Prop-1-enoxybutan-2-yl)oxirane
CID 150088170
2-[3-(2-Methylprop-1-enoxy)propyl]oxirane
CID 150134576
2-(3-Prop-1-enoxypropyl)oxirane
CID 152455650

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-prop-1-enoxy]propyl]oxirane?
The IUPAC name of 2-[3-[(E)-prop-1-enoxy]propyl]oxirane (CID 176603243) is 2-[3-[(E)-prop-1-enoxy]propyl]oxirane.
What is the SMILES notation for 2-[3-[(E)-prop-1-enoxy]propyl]oxirane?
The canonical SMILES for 2-[3-[(E)-prop-1-enoxy]propyl]oxirane is C/C=C/OCCCC1CO1.
What is the InChIKey of 2-[3-[(E)-prop-1-enoxy]propyl]oxirane?
The InChIKey is XUJKVKCYBCOMCW-GORDUTHDSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-5-9-6-3-4-8-7-10-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+.
What are the key properties of 2-[3-[(E)-prop-1-enoxy]propyl]oxirane?
2-[3-[(E)-prop-1-enoxy]propyl]oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-prop-1-enoxy]propyl]oxirane is sourced from PubChem (CID 176603243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).