3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)oxetane

C14H28O — CID 122695011

IUPAC3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)oxetane
SMILESCC(C)(C)C1COC1C(C)(C)C(C)(C)C
InChIInChI=1S/C14H28O/c1-12(2,3)10-9-15-11(10)14(7,8)13(4,5)6/h10-11H,9H2,1-8H3
InChIKeyZDROTSBQVNNBRV-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.12
Rot. Bonds1

About 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)oxetane

3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)oxetane (PubChem CID 122695011) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)oxetane.

Molecular Properties

Compound Name3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)oxetane
PubChem CID122695011
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)oxetane
SMILESCC(C)(C)C1COC1C(C)(C)C(C)(C)C
InChIInChI=1S/C14H28O/c1-12(2,3)10-9-15-11(10)14(7,8)13(4,5)6/h10-11H,9H2,1-8H3
InChIKeyZDROTSBQVNNBRV-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)oxetane?
The IUPAC name of 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)oxetane (CID 122695011) is 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)oxetane.
What is the SMILES notation for 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)oxetane?
The canonical SMILES for 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)oxetane is CC(C)(C)C1COC1C(C)(C)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)oxetane?
The InChIKey is ZDROTSBQVNNBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-12(2,3)10-9-15-11(10)14(7,8)13(4,5)6/h10-11H,9H2,1-8H3.
What are the key properties of 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)oxetane?
3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)oxetane has a molecular weight of 212.38 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)oxetane is sourced from PubChem (CID 122695011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).