3-ethyl-3-(2-methylprop-2-enyl)oxetane

C9H16O — CID 89146557

IUPAC3-ethyl-3-(2-methylprop-2-enyl)oxetane
SMILESC=C(C)CC1(CC)COC1
InChIInChI=1S/C9H16O/c1-4-9(5-8(2)3)6-10-7-9/h2,4-7H2,1,3H3
InChIKeyHFCWPIUEWWUIFV-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds3

About 3-ethyl-3-(2-methylprop-2-enyl)oxetane

3-ethyl-3-(2-methylprop-2-enyl)oxetane (PubChem CID 89146557) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-ethyl-3-(2-methylprop-2-enyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(2-methylprop-2-enyl)oxetane
PubChem CID89146557
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-ethyl-3-(2-methylprop-2-enyl)oxetane
SMILESC=C(C)CC1(CC)COC1
InChIInChI=1S/C9H16O/c1-4-9(5-8(2)3)6-10-7-9/h2,4-7H2,1,3H3
InChIKeyHFCWPIUEWWUIFV-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
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-(2-methylprop-2-enyl)oxetane?
The IUPAC name of 3-ethyl-3-(2-methylprop-2-enyl)oxetane (CID 89146557) is 3-ethyl-3-(2-methylprop-2-enyl)oxetane.
What is the SMILES notation for 3-ethyl-3-(2-methylprop-2-enyl)oxetane?
The canonical SMILES for 3-ethyl-3-(2-methylprop-2-enyl)oxetane is C=C(C)CC1(CC)COC1.
What is the InChIKey of 3-ethyl-3-(2-methylprop-2-enyl)oxetane?
The InChIKey is HFCWPIUEWWUIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-9(5-8(2)3)6-10-7-9/h2,4-7H2,1,3H3.
What are the key properties of 3-ethyl-3-(2-methylprop-2-enyl)oxetane?
3-ethyl-3-(2-methylprop-2-enyl)oxetane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-methylprop-2-enyl)oxetane is sourced from PubChem (CID 89146557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).