2-[(E)-prop-1-enyl]peroxyethoxycyclopropane

C8H14O3 — CID 23556504

IUPAC2-[(E)-prop-1-enyl]peroxyethoxycyclopropane
SMILESC/C=C/OOCCOC1CC1
InChIInChI=1S/C8H14O3/c1-2-5-10-11-7-6-9-8-3-4-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyZTVVMVAXZDQWKO-GORDUTHDSA-N
MW158.20 g/mol
LogP1.65
Rot. Bonds6

About 2-[(E)-prop-1-enyl]peroxyethoxycyclopropane

2-[(E)-prop-1-enyl]peroxyethoxycyclopropane (PubChem CID 23556504) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]peroxyethoxycyclopropane.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]peroxyethoxycyclopropane
PubChem CID23556504
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-[(E)-prop-1-enyl]peroxyethoxycyclopropane
SMILESC/C=C/OOCCOC1CC1
InChIInChI=1S/C8H14O3/c1-2-5-10-11-7-6-9-8-3-4-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyZTVVMVAXZDQWKO-GORDUTHDSA-N
XLogP1.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enyl]peroxyethoxycyclopropane?
The IUPAC name of 2-[(E)-prop-1-enyl]peroxyethoxycyclopropane (CID 23556504) is 2-[(E)-prop-1-enyl]peroxyethoxycyclopropane.
What is the SMILES notation for 2-[(E)-prop-1-enyl]peroxyethoxycyclopropane?
The canonical SMILES for 2-[(E)-prop-1-enyl]peroxyethoxycyclopropane is C/C=C/OOCCOC1CC1.
What is the InChIKey of 2-[(E)-prop-1-enyl]peroxyethoxycyclopropane?
The InChIKey is ZTVVMVAXZDQWKO-GORDUTHDSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-5-10-11-7-6-9-8-3-4-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+.
What are the key properties of 2-[(E)-prop-1-enyl]peroxyethoxycyclopropane?
2-[(E)-prop-1-enyl]peroxyethoxycyclopropane has a molecular weight of 158.20 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]peroxyethoxycyclopropane is sourced from PubChem (CID 23556504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).