2-(3-ethenoxypropyl)-2-methyloxirane

C8H14O2 — CID 150294869

IUPAC2-(3-ethenoxypropyl)-2-methyloxirane
SMILESC=COCCCC1(C)CO1
InChIInChI=1S/C8H14O2/c1-3-9-6-4-5-8(2)7-10-8/h3H,1,4-7H2,2H3
InChIKeyGIJJINXRWOWTNN-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds5

About 2-(3-ethenoxypropyl)-2-methyloxirane

2-(3-ethenoxypropyl)-2-methyloxirane (PubChem CID 150294869) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(3-ethenoxypropyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(3-ethenoxypropyl)-2-methyloxirane
PubChem CID150294869
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(3-ethenoxypropyl)-2-methyloxirane
SMILESC=COCCCC1(C)CO1
InChIInChI=1S/C8H14O2/c1-3-9-6-4-5-8(2)7-10-8/h3H,1,4-7H2,2H3
InChIKeyGIJJINXRWOWTNN-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(2-Ethenoxyethyl)-2-ethyloxirane
CID 150151744
2-(4-Ethenoxybutan-2-yl)oxirane
CID 152010777
2-(3-Ethenoxypropyl)-2-ethyloxirane
CID 176603120

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropyl)-2-methyloxirane?
The IUPAC name of 2-(3-ethenoxypropyl)-2-methyloxirane (CID 150294869) is 2-(3-ethenoxypropyl)-2-methyloxirane.
What is the SMILES notation for 2-(3-ethenoxypropyl)-2-methyloxirane?
The canonical SMILES for 2-(3-ethenoxypropyl)-2-methyloxirane is C=COCCCC1(C)CO1.
What is the InChIKey of 2-(3-ethenoxypropyl)-2-methyloxirane?
The InChIKey is GIJJINXRWOWTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-9-6-4-5-8(2)7-10-8/h3H,1,4-7H2,2H3.
What are the key properties of 2-(3-ethenoxypropyl)-2-methyloxirane?
2-(3-ethenoxypropyl)-2-methyloxirane 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-ethenoxypropyl)-2-methyloxirane is sourced from PubChem (CID 150294869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).