2-(ethenoxymethyl)-2-propyloxirane

C8H14O2 — CID 118983075

IUPAC2-(ethenoxymethyl)-2-propyloxirane
SMILESC=COCC1(CCC)CO1
InChIInChI=1S/C8H14O2/c1-3-5-8(7-10-8)6-9-4-2/h4H,2-3,5-7H2,1H3
InChIKeyWMDILAYSFVBNBM-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds5

About 2-(ethenoxymethyl)-2-propyloxirane

2-(ethenoxymethyl)-2-propyloxirane (PubChem CID 118983075) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-propyloxirane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-propyloxirane
PubChem CID118983075
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(ethenoxymethyl)-2-propyloxirane
SMILESC=COCC1(CCC)CO1
InChIInChI=1S/C8H14O2/c1-3-5-8(7-10-8)6-9-4-2/h4H,2-3,5-7H2,1H3
InChIKeyWMDILAYSFVBNBM-UHFFFAOYSA-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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-propyloxirane?
The IUPAC name of 2-(ethenoxymethyl)-2-propyloxirane (CID 118983075) is 2-(ethenoxymethyl)-2-propyloxirane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-propyloxirane?
The canonical SMILES for 2-(ethenoxymethyl)-2-propyloxirane is C=COCC1(CCC)CO1.
What is the InChIKey of 2-(ethenoxymethyl)-2-propyloxirane?
The InChIKey is WMDILAYSFVBNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-8(7-10-8)6-9-4-2/h4H,2-3,5-7H2,1H3.
What are the key properties of 2-(ethenoxymethyl)-2-propyloxirane?
2-(ethenoxymethyl)-2-propyloxirane 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-(ethenoxymethyl)-2-propyloxirane is sourced from PubChem (CID 118983075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).