2-ethenyl-4-propyloxetane

C8H14O — CID 89339473

IUPAC2-ethenyl-4-propyloxetane
SMILESC=CC1CC(CCC)O1
InChIInChI=1S/C8H14O/c1-3-5-8-6-7(4-2)9-8/h4,7-8H,2-3,5-6H2,1H3
InChIKeyRERKCDXBABZLHN-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds3

About 2-ethenyl-4-propyloxetane

2-ethenyl-4-propyloxetane (PubChem CID 89339473) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-ethenyl-4-propyloxetane.

Molecular Properties

Compound Name2-ethenyl-4-propyloxetane
PubChem CID89339473
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-ethenyl-4-propyloxetane
SMILESC=CC1CC(CCC)O1
InChIInChI=1S/C8H14O/c1-3-5-8-6-7(4-2)9-8/h4,7-8H,2-3,5-6H2,1H3
InChIKeyRERKCDXBABZLHN-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
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 2-ethenyl-4-propyloxetane?
The IUPAC name of 2-ethenyl-4-propyloxetane (CID 89339473) is 2-ethenyl-4-propyloxetane.
What is the SMILES notation for 2-ethenyl-4-propyloxetane?
The canonical SMILES for 2-ethenyl-4-propyloxetane is C=CC1CC(CCC)O1.
What is the InChIKey of 2-ethenyl-4-propyloxetane?
The InChIKey is RERKCDXBABZLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-8-6-7(4-2)9-8/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 2-ethenyl-4-propyloxetane?
2-ethenyl-4-propyloxetane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-propyloxetane is sourced from PubChem (CID 89339473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).