2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane

C8H14O2 — CID 176603567

IUPAC2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane
SMILESC/C=C/OCC1(CC)CO1
InChIInChI=1S/C8H14O2/c1-3-5-9-6-8(4-2)7-10-8/h3,5H,4,6-7H2,1-2H3/b5-3+
InChIKeyXOTSLNSTJKGINX-HWKANZROSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds4

About 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane

2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane (PubChem CID 176603567) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane.

Molecular Properties

Compound Name2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane
PubChem CID176603567
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane
SMILESC/C=C/OCC1(CC)CO1
InChIInChI=1S/C8H14O2/c1-3-5-9-6-8(4-2)7-10-8/h3,5H,4,6-7H2,1-2H3/b5-3+
InChIKeyXOTSLNSTJKGINX-HWKANZROSA-N
XLogP1.72
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

2,2-Dimethyl-3-(prop-1-enoxymethyl)oxirane
CID 54050941
2-Methyl-2-(prop-1-enoxymethyl)oxirane
CID 118661347
2-Ethyl-2-(hex-1-enoxymethyl)oxirane
CID 118977542
2,3-Dimethyl-2-(prop-1-enoxymethyl)oxirane
CID 140365265
2-(Ethenoxymethyl)-2-ethyloxirane
CID 152715557
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxirane
CID 176603818
2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxirane
CID 176603839
2-Methyl-2-(2-methylprop-1-enoxymethyl)oxirane
CID 176604213
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane
CID 176604577
2-[1-[(E)-prop-1-enoxy]ethyl]oxirane
CID 176604712

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane?
The IUPAC name of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane (CID 176603567) is 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane.
What is the SMILES notation for 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane?
The canonical SMILES for 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane is C/C=C/OCC1(CC)CO1.
What is the InChIKey of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane?
The InChIKey is XOTSLNSTJKGINX-HWKANZROSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-9-6-8(4-2)7-10-8/h3,5H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane?
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane is sourced from PubChem (CID 176603567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).