3-(2-methylpropyl)-3-(trideuteriomethoxy)oxetane

C8H16O2 — CID 121368622

IUPAC3-(2-methylpropyl)-3-(trideuteriomethoxy)oxetane
SMILES[2H]C([2H])([2H])OC1(CC(C)C)COC1
InChIInChI=1S/C8H16O2/c1-7(2)4-8(9-3)5-10-6-8/h7H,4-6H2,1-3H3/i3D3
InChIKeyARRRARKVKXWYNM-HPRDVNIFSA-N
MW147.23 g/mol
LogP1.45
Rot. Bonds4

About 3-(2-methylpropyl)-3-(trideuteriomethoxy)oxetane

3-(2-methylpropyl)-3-(trideuteriomethoxy)oxetane (PubChem CID 121368622) has the molecular formula C8H16O2 and a molecular weight of 147.23 g/mol. Its IUPAC name is 3-(2-methylpropyl)-3-(trideuteriomethoxy)oxetane.

Molecular Properties

Compound Name3-(2-methylpropyl)-3-(trideuteriomethoxy)oxetane
PubChem CID121368622
Molecular FormulaC8H16O2
Molecular Weight147.23 g/mol
Exact Mass147.13
IUPAC Name3-(2-methylpropyl)-3-(trideuteriomethoxy)oxetane
SMILES[2H]C([2H])([2H])OC1(CC(C)C)COC1
InChIInChI=1S/C8H16O2/c1-7(2)4-8(9-3)5-10-6-8/h7H,4-6H2,1-3H3/i3D3
InChIKeyARRRARKVKXWYNM-HPRDVNIFSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(2-Methylpropan-2-yl)oxy]propyl]oxetane
CID 171454077
3-Methyl-2-(pentoxymethyl)oxetane
CID 172761851
1,2-Dimethoxy-2-methylpentane
CID 13444241
3-Methoxy-3-(methoxymethyl)-2-methylhexane
CID 23384968
3-Butyl-3-methoxyoxetane
CID 53909740
3-Methoxy-3-propyloxetane
CID 54458452
(3S)-3-methoxy-3-(methoxymethyl)-2-methylhexane
CID 59039440
3-Ethyl-3-(6-methoxyhexoxy)oxetane
CID 59790902
CID 59896075
CID 59896075
(3R)-3-methoxy-3-(methoxymethyl)-2-methylhexane
CID 59911061
Ethane;3-propyloxetan-3-ol
CID 66876158
3-[3-(2-Methoxyethoxy)propyl]oxetane
CID 67170238

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-3-(trideuteriomethoxy)oxetane?
The IUPAC name of 3-(2-methylpropyl)-3-(trideuteriomethoxy)oxetane (CID 121368622) is 3-(2-methylpropyl)-3-(trideuteriomethoxy)oxetane.
What is the SMILES notation for 3-(2-methylpropyl)-3-(trideuteriomethoxy)oxetane?
The canonical SMILES for 3-(2-methylpropyl)-3-(trideuteriomethoxy)oxetane is [2H]C([2H])([2H])OC1(CC(C)C)COC1.
What is the InChIKey of 3-(2-methylpropyl)-3-(trideuteriomethoxy)oxetane?
The InChIKey is ARRRARKVKXWYNM-HPRDVNIFSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)4-8(9-3)5-10-6-8/h7H,4-6H2,1-3H3/i3D3.
What are the key properties of 3-(2-methylpropyl)-3-(trideuteriomethoxy)oxetane?
3-(2-methylpropyl)-3-(trideuteriomethoxy)oxetane has a molecular weight of 147.23 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-3-(trideuteriomethoxy)oxetane is sourced from PubChem (CID 121368622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).