2-tert-butyloxetane

C7H14O — CID 12593029

IUPAC2-tert-butyloxetane
SMILESCC(C)(C)C1CCO1
InChIInChI=1S/C7H14O/c1-7(2,3)6-4-5-8-6/h6H,4-5H2,1-3H3
InChIKeyDCFJICVCLKXCSF-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.82
Rot. Bonds

About 2-tert-butyloxetane

2-tert-butyloxetane (PubChem CID 12593029) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-tert-butyloxetane.

Molecular Properties

Compound Name2-tert-butyloxetane
PubChem CID12593029
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2-tert-butyloxetane
SMILESCC(C)(C)C1CCO1
InChIInChI=1S/C7H14O/c1-7(2,3)6-4-5-8-6/h6H,4-5H2,1-3H3
InChIKeyDCFJICVCLKXCSF-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Oxetane, 3-methyl-3-propyl
CID 529341
2-(1,1-Dimethylethyl)-3-methyloxetane
CID 534669
2-Isopropyloxetane
CID 537236
2-Ethyl-3-methyloxetane
CID 40894
Oxetane, 2,2,4-trimethyl-
CID 537445
2,4,4-Trimethyloxolane
CID 57266564
2,3,3-Trimethyl-oxetane
CID 20299965
3,3-Dimethyl-2-propan-2-yloxetane
CID 11083907
(2S,3S)-2-tert-butyl-3-methyloxetane
CID 11412391
4,4-Dimethyl-1-propan-2-yloxypentane
CID 20579805
2,2-Dimethyl-3-pentoxypentane
CID 23119504
2,2-Dimethyl-1-propan-2-yloxypentane
CID 58303741

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyloxetane?
The IUPAC name of 2-tert-butyloxetane (CID 12593029) is 2-tert-butyloxetane.
What is the SMILES notation for 2-tert-butyloxetane?
The canonical SMILES for 2-tert-butyloxetane is CC(C)(C)C1CCO1.
What is the InChIKey of 2-tert-butyloxetane?
The InChIKey is DCFJICVCLKXCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-7(2,3)6-4-5-8-6/h6H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyloxetane?
2-tert-butyloxetane has a molecular weight of 114.19 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyloxetane is sourced from PubChem (CID 12593029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).