(2S,3R)-3-(2,2-dimethylpropyl)-2-methyloxetane

C9H18O — CID 135251654

IUPAC(2S,3R)-3-(2,2-dimethylpropyl)-2-methyloxetane
SMILESC[C@@H]1OC[C@H]1CC(C)(C)C
InChIInChI=1S/C9H18O/c1-7-8(6-10-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyRUPUHAVOBCXQIO-JGVFFNPUSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds1

About (2S,3R)-3-(2,2-dimethylpropyl)-2-methyloxetane

(2S,3R)-3-(2,2-dimethylpropyl)-2-methyloxetane (PubChem CID 135251654) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (2S,3R)-3-(2,2-dimethylpropyl)-2-methyloxetane.

Molecular Properties

Compound Name(2S,3R)-3-(2,2-dimethylpropyl)-2-methyloxetane
PubChem CID135251654
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(2S,3R)-3-(2,2-dimethylpropyl)-2-methyloxetane
SMILESC[C@@H]1OC[C@H]1CC(C)(C)C
InChIInChI=1S/C9H18O/c1-7-8(6-10-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyRUPUHAVOBCXQIO-JGVFFNPUSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(2,2-dimethylpropyl)-2-methyloxetane?
The IUPAC name of (2S,3R)-3-(2,2-dimethylpropyl)-2-methyloxetane (CID 135251654) is (2S,3R)-3-(2,2-dimethylpropyl)-2-methyloxetane.
What is the SMILES notation for (2S,3R)-3-(2,2-dimethylpropyl)-2-methyloxetane?
The canonical SMILES for (2S,3R)-3-(2,2-dimethylpropyl)-2-methyloxetane is C[C@@H]1OC[C@H]1CC(C)(C)C.
What is the InChIKey of (2S,3R)-3-(2,2-dimethylpropyl)-2-methyloxetane?
The InChIKey is RUPUHAVOBCXQIO-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H18O/c1-7-8(6-10-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of (2S,3R)-3-(2,2-dimethylpropyl)-2-methyloxetane?
(2S,3R)-3-(2,2-dimethylpropyl)-2-methyloxetane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(2,2-dimethylpropyl)-2-methyloxetane is sourced from PubChem (CID 135251654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).