2-tert-butyl-2-ethyloxetane

C9H18O — CID 89426434

IUPAC2-tert-butyl-2-ethyloxetane
SMILESCCC1(C(C)(C)C)CCO1
InChIInChI=1S/C9H18O/c1-5-9(6-7-10-9)8(2,3)4/h5-7H2,1-4H3
InChIKeyKUWCRSPPWGXMKH-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds1

About 2-tert-butyl-2-ethyloxetane

2-tert-butyl-2-ethyloxetane (PubChem CID 89426434) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-tert-butyl-2-ethyloxetane.

Molecular Properties

Compound Name2-tert-butyl-2-ethyloxetane
PubChem CID89426434
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-tert-butyl-2-ethyloxetane
SMILESCCC1(C(C)(C)C)CCO1
InChIInChI=1S/C9H18O/c1-5-9(6-7-10-9)8(2,3)4/h5-7H2,1-4H3
InChIKeyKUWCRSPPWGXMKH-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-ethyloxetane?
The IUPAC name of 2-tert-butyl-2-ethyloxetane (CID 89426434) is 2-tert-butyl-2-ethyloxetane.
What is the SMILES notation for 2-tert-butyl-2-ethyloxetane?
The canonical SMILES for 2-tert-butyl-2-ethyloxetane is CCC1(C(C)(C)C)CCO1.
What is the InChIKey of 2-tert-butyl-2-ethyloxetane?
The InChIKey is KUWCRSPPWGXMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-5-9(6-7-10-9)8(2,3)4/h5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-2-ethyloxetane?
2-tert-butyl-2-ethyloxetane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-ethyloxetane is sourced from PubChem (CID 89426434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).