2-ethyl-2-(prop-2-enoxymethyl)oxirane

C8H14O2 — CID 141221836

IUPAC2-ethyl-2-(prop-2-enoxymethyl)oxirane
SMILESC=CCOCC1(CC)CO1
InChIInChI=1S/C8H14O2/c1-3-5-9-6-8(4-2)7-10-8/h3H,1,4-7H2,2H3
InChIKeyFYCLQIITZZBECP-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.37
Rot. Bonds5

About 2-ethyl-2-(prop-2-enoxymethyl)oxirane

2-ethyl-2-(prop-2-enoxymethyl)oxirane (PubChem CID 141221836) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-ethyl-2-(prop-2-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-ethyl-2-(prop-2-enoxymethyl)oxirane
PubChem CID141221836
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-ethyl-2-(prop-2-enoxymethyl)oxirane
SMILESC=CCOCC1(CC)CO1
InChIInChI=1S/C8H14O2/c1-3-5-9-6-8(4-2)7-10-8/h3H,1,4-7H2,2H3
InChIKeyFYCLQIITZZBECP-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-{[(2-methylprop-2-en-1-yl)oxy]methyl}oxirane
CID 230025
1-Methoxy-1,1-dimethyl-3-prop-2-enyloxypropane
CID 44602792
(2R,3S)-2-(methoxymethyl)-3-(prop-2-enoxymethyl)oxirane
CID 134880591
2-[2,2-Bis(prop-2-enoxymethyl)butoxymethyl]oxirane
CID 176472655
2-Methyl-2-(2-prop-2-enoxyethyl)oxirane
CID 10558725
2-Methyl-2-(prop-2-enoxymethyl)oxirane
CID 11366999
2-{2-[(Prop-2-en-1-yl)oxy]propan-2-yl}oxirane
CID 13757196
2-(1-Prop-2-enoxyethyl)oxirane
CID 14859759
2-[[(1,1-Dimethyl-2-propen-1-yl)oxy]methyl]oxirane
CID 15622946
2-Methyl-3-(prop-2-enoxymethyl)oxirane
CID 20537289
1-Methoxy-1-(prop-2-enoxymethyl)cyclopropane
CID 21365392
3-Ethyl-3-prop-2-enoxyoxetane
CID 23614797

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(prop-2-enoxymethyl)oxirane?
The IUPAC name of 2-ethyl-2-(prop-2-enoxymethyl)oxirane (CID 141221836) is 2-ethyl-2-(prop-2-enoxymethyl)oxirane.
What is the SMILES notation for 2-ethyl-2-(prop-2-enoxymethyl)oxirane?
The canonical SMILES for 2-ethyl-2-(prop-2-enoxymethyl)oxirane is C=CCOCC1(CC)CO1.
What is the InChIKey of 2-ethyl-2-(prop-2-enoxymethyl)oxirane?
The InChIKey is FYCLQIITZZBECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-9-6-8(4-2)7-10-8/h3H,1,4-7H2,2H3.
What are the key properties of 2-ethyl-2-(prop-2-enoxymethyl)oxirane?
2-ethyl-2-(prop-2-enoxymethyl)oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(prop-2-enoxymethyl)oxirane is sourced from PubChem (CID 141221836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).