2-ethyl-2-prop-2-enyloxirane

C7H12O — CID 15933471

IUPAC2-ethyl-2-prop-2-enyloxirane
SMILESC=CCC1(CC)CO1
InChIInChI=1S/C7H12O/c1-3-5-7(4-2)6-8-7/h3H,1,4-6H2,2H3
InChIKeyNNIFVRBSLBRFDB-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.74
Rot. Bonds3

About 2-ethyl-2-prop-2-enyloxirane

2-ethyl-2-prop-2-enyloxirane (PubChem CID 15933471) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-ethyl-2-prop-2-enyloxirane.

Molecular Properties

Compound Name2-ethyl-2-prop-2-enyloxirane
PubChem CID15933471
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-ethyl-2-prop-2-enyloxirane
SMILESC=CCC1(CC)CO1
InChIInChI=1S/C7H12O/c1-3-5-7(4-2)6-8-7/h3H,1,4-6H2,2H3
InChIKeyNNIFVRBSLBRFDB-UHFFFAOYSA-N
XLogP1.74
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-ethyl-2-prop-2-enyloxirane?
The IUPAC name of 2-ethyl-2-prop-2-enyloxirane (CID 15933471) is 2-ethyl-2-prop-2-enyloxirane.
What is the SMILES notation for 2-ethyl-2-prop-2-enyloxirane?
The canonical SMILES for 2-ethyl-2-prop-2-enyloxirane is C=CCC1(CC)CO1.
What is the InChIKey of 2-ethyl-2-prop-2-enyloxirane?
The InChIKey is NNIFVRBSLBRFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-3-5-7(4-2)6-8-7/h3H,1,4-6H2,2H3.
What are the key properties of 2-ethyl-2-prop-2-enyloxirane?
2-ethyl-2-prop-2-enyloxirane has a molecular weight of 112.17 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-prop-2-enyloxirane is sourced from PubChem (CID 15933471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).