3-ethyl-3-prop-1-en-2-yloxetane

C8H14O — CID 22160801

IUPAC3-ethyl-3-prop-1-en-2-yloxetane
SMILESC=C(C)C1(CC)COC1
InChIInChI=1S/C8H14O/c1-4-8(7(2)3)5-9-6-8/h2,4-6H2,1,3H3
InChIKeyUKKARHZSHBUEHA-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds2

About 3-ethyl-3-prop-1-en-2-yloxetane

3-ethyl-3-prop-1-en-2-yloxetane (PubChem CID 22160801) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-ethyl-3-prop-1-en-2-yloxetane.

Molecular Properties

Compound Name3-ethyl-3-prop-1-en-2-yloxetane
PubChem CID22160801
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-ethyl-3-prop-1-en-2-yloxetane
SMILESC=C(C)C1(CC)COC1
InChIInChI=1S/C8H14O/c1-4-8(7(2)3)5-9-6-8/h2,4-6H2,1,3H3
InChIKeyUKKARHZSHBUEHA-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-prop-1-en-2-yloxetane?
The IUPAC name of 3-ethyl-3-prop-1-en-2-yloxetane (CID 22160801) is 3-ethyl-3-prop-1-en-2-yloxetane.
What is the SMILES notation for 3-ethyl-3-prop-1-en-2-yloxetane?
The canonical SMILES for 3-ethyl-3-prop-1-en-2-yloxetane is C=C(C)C1(CC)COC1.
What is the InChIKey of 3-ethyl-3-prop-1-en-2-yloxetane?
The InChIKey is UKKARHZSHBUEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-8(7(2)3)5-9-6-8/h2,4-6H2,1,3H3.
What are the key properties of 3-ethyl-3-prop-1-en-2-yloxetane?
3-ethyl-3-prop-1-en-2-yloxetane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-prop-1-en-2-yloxetane is sourced from PubChem (CID 22160801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).