(2S,3S)-2-tert-butyl-3-methyloxetane

C8H16O — CID 11412391

IUPAC(2S,3S)-2-tert-butyl-3-methyloxetane
SMILESC[C@H]1CO[C@@H]1C(C)(C)C
InChIInChI=1S/C8H16O/c1-6-5-9-7(6)8(2,3)4/h6-7H,5H2,1-4H3/t6-,7-/m0/s1
InChIKeyYZUOZLHQBCFIKB-BQBZGAKWSA-N
MW128.21 g/mol
LogP2.07
Rot. Bonds

About (2S,3S)-2-tert-butyl-3-methyloxetane

(2S,3S)-2-tert-butyl-3-methyloxetane (PubChem CID 11412391) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (2S,3S)-2-tert-butyl-3-methyloxetane.

Molecular Properties

Compound Name(2S,3S)-2-tert-butyl-3-methyloxetane
PubChem CID11412391
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(2S,3S)-2-tert-butyl-3-methyloxetane
SMILESC[C@H]1CO[C@@H]1C(C)(C)C
InChIInChI=1S/C8H16O/c1-6-5-9-7(6)8(2,3)4/h6-7H,5H2,1-4H3/t6-,7-/m0/s1
InChIKeyYZUOZLHQBCFIKB-BQBZGAKWSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,1-Dimethylethyl)-3-methyloxetane
CID 534669
2-Isopropyloxetane
CID 537236
2-Ethyl-3-methyloxetane
CID 40894
tert-Butylmethylather
CID 117808727
3,3-Dimethyl-2-propan-2-yloxetane
CID 11083907
4-Methylpentyl tert-octyl ether
CID 91752497
2-Tert-butyloxetane
CID 12593029
5-Ethoxy-2,2-dimethylhexane
CID 13734807
2-(3,3-Dimethylbutan-2-yloxy)-5-methylhexane
CID 13843574
3-Tert-butyl-2-methyloxetane
CID 14876783
4,4-Dimethyl-1-propan-2-yloxypentane
CID 20579805
3-Methyl-3-(2-methylpropyl)oxetane
CID 20692489

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-tert-butyl-3-methyloxetane?
The IUPAC name of (2S,3S)-2-tert-butyl-3-methyloxetane (CID 11412391) is (2S,3S)-2-tert-butyl-3-methyloxetane.
What is the SMILES notation for (2S,3S)-2-tert-butyl-3-methyloxetane?
The canonical SMILES for (2S,3S)-2-tert-butyl-3-methyloxetane is C[C@H]1CO[C@@H]1C(C)(C)C.
What is the InChIKey of (2S,3S)-2-tert-butyl-3-methyloxetane?
The InChIKey is YZUOZLHQBCFIKB-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H16O/c1-6-5-9-7(6)8(2,3)4/h6-7H,5H2,1-4H3/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-2-tert-butyl-3-methyloxetane?
(2S,3S)-2-tert-butyl-3-methyloxetane has a molecular weight of 128.21 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-tert-butyl-3-methyloxetane is sourced from PubChem (CID 11412391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).