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

C9H18O — CID 118284226

IUPAC3-(2,2-dimethylpropyl)-2-methyloxetane
SMILESCC1OCC1CC(C)(C)C
InChIInChI=1S/C9H18O/c1-7-8(6-10-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyRUPUHAVOBCXQIO-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds1

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

3-(2,2-dimethylpropyl)-2-methyloxetane (PubChem CID 118284226) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2-methyloxetane.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2-methyloxetane
PubChem CID118284226
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-(2,2-dimethylpropyl)-2-methyloxetane
SMILESCC1OCC1CC(C)(C)C
InChIInChI=1S/C9H18O/c1-7-8(6-10-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyRUPUHAVOBCXQIO-UHFFFAOYSA-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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Related Compounds

Oxetane, 3,3-dipropyl
CID 529238
2-(1,1-Dimethylethyl)-3-methyloxetane
CID 534669
1-Tert-butyl-3-(2-fluoroethoxy)cyclobutane
CID 146624620
Oxetane, 3-ethyl-3-propyl
CID 529313
3-Methylpentyl tert-octyl ether
CID 91752496
3,3-Dimethyl-2-propan-2-yloxetane
CID 11083907
3-Ethyl-3-(methoxymethyl)-2-propyloxetane
CID 155117177
3-Ethyl-3-(1-methoxy-2-methylpropyl)oxetane
CID 174519159
2-(1-Methoxy-3-methylpentan-3-yl)oxetane
CID 175420743
(2S,3S)-2-tert-butyl-3-methyloxetane
CID 11412391
1-(1-Ethoxyethyl)bicyclo[1.1.1]pentane
CID 85617688
5-Ethoxy-2,2-dimethylhexane
CID 13734807

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2-methyloxetane?
The IUPAC name of 3-(2,2-dimethylpropyl)-2-methyloxetane (CID 118284226) is 3-(2,2-dimethylpropyl)-2-methyloxetane.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2-methyloxetane?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2-methyloxetane is CC1OCC1CC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2-methyloxetane?
The InChIKey is RUPUHAVOBCXQIO-UHFFFAOYSA-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.
What are the key properties of 3-(2,2-dimethylpropyl)-2-methyloxetane?
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 3-(2,2-dimethylpropyl)-2-methyloxetane is sourced from PubChem (CID 118284226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).