2-(2-ethenoxyethyl)-2-methyloxirane

C7H12O2 — CID 151793155

IUPAC2-(2-ethenoxyethyl)-2-methyloxirane
SMILESC=COCCC1(C)CO1
InChIInChI=1S/C7H12O2/c1-3-8-5-4-7(2)6-9-7/h3H,1,4-6H2,2H3
InChIKeyRXAUYLXQLPRVSK-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.33
Rot. Bonds4

About 2-(2-ethenoxyethyl)-2-methyloxirane

2-(2-ethenoxyethyl)-2-methyloxirane (PubChem CID 151793155) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-(2-ethenoxyethyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(2-ethenoxyethyl)-2-methyloxirane
PubChem CID151793155
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-(2-ethenoxyethyl)-2-methyloxirane
SMILESC=COCCC1(C)CO1
InChIInChI=1S/C7H12O2/c1-3-8-5-4-7(2)6-9-7/h3H,1,4-6H2,2H3
InChIKeyRXAUYLXQLPRVSK-UHFFFAOYSA-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

Cassis ether
CID 62774675
2-(2-Ethenoxyethyl)-2-ethyloxirane
CID 150151744
2-(Ethenoxymethyl)-2-ethyloxirane
CID 152715557
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane
CID 176604577

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethyl)-2-methyloxirane?
The IUPAC name of 2-(2-ethenoxyethyl)-2-methyloxirane (CID 151793155) is 2-(2-ethenoxyethyl)-2-methyloxirane.
What is the SMILES notation for 2-(2-ethenoxyethyl)-2-methyloxirane?
The canonical SMILES for 2-(2-ethenoxyethyl)-2-methyloxirane is C=COCCC1(C)CO1.
What is the InChIKey of 2-(2-ethenoxyethyl)-2-methyloxirane?
The InChIKey is RXAUYLXQLPRVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-8-5-4-7(2)6-9-7/h3H,1,4-6H2,2H3.
What are the key properties of 2-(2-ethenoxyethyl)-2-methyloxirane?
2-(2-ethenoxyethyl)-2-methyloxirane 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-ethenoxyethyl)-2-methyloxirane is sourced from PubChem (CID 151793155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).