3-ethyl-3-methyloxetane;methane;2-methyloxirane

C11H26O2 — CID 161094620

IUPAC3-ethyl-3-methyloxetane;methane;2-methyloxirane
SMILESC.C.CC1CO1.CCC1(C)COC1
InChIInChI=1S/C6H12O.C3H6O.2CH4/c1-3-6(2)4-7-5-6;1-3-2-4-3;;/h3-5H2,1-2H3;3H,2H2,1H3;2*1H4
InChIKeyUHPXDKLQCXJSSO-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.11
Rot. Bonds1

About 3-ethyl-3-methyloxetane;methane;2-methyloxirane

3-ethyl-3-methyloxetane;methane;2-methyloxirane (PubChem CID 161094620) has the molecular formula C11H26O2 and a molecular weight of 190.33 g/mol. Its IUPAC name is 3-ethyl-3-methyloxetane;methane;2-methyloxirane.

Molecular Properties

Compound Name3-ethyl-3-methyloxetane;methane;2-methyloxirane
PubChem CID161094620
Molecular FormulaC11H26O2
Molecular Weight190.33 g/mol
Exact Mass190.19
IUPAC Name3-ethyl-3-methyloxetane;methane;2-methyloxirane
SMILESC.C.CC1CO1.CCC1(C)COC1
InChIInChI=1S/C6H12O.C3H6O.2CH4/c1-3-6(2)4-7-5-6;1-3-2-4-3;;/h3-5H2,1-2H3;3H,2H2,1H3;2*1H4
InChIKeyUHPXDKLQCXJSSO-UHFFFAOYSA-N
XLogP3.11
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethane;3-ethyl-3-methyloxetane;methanamine
CID 142501771
ethoxyethane;bis(3-ethyl-3-methyloxetane)
CID 69107324
(2-methyloxirane);oxirane
CID 173423277
CID 163498360
CID 163498360
2-methyloxirane;polane
CID 173240072
λ2-plumbane;2-methyloxirane
CID 173222692
3-ethyl-3-(methoxymethyl)oxetane;3-(methoxymethyl)-3-methyloxetane
CID 159055138
2,2-diethyl-5-methyl-1,4-dioxane
CID 151533487
1,5-diethyl-1,3,5,7-tetramethylcyclooctane
CID 158662889
zinc;2-methyloxirane;dichloride
CID 21163562
magnesium;hydride;2-methyloxirane
CID 173126818
(2S)-2,5-dimethyl-1,4-dioxane
CID 6712981

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyloxetane;methane;2-methyloxirane?
The IUPAC name of 3-ethyl-3-methyloxetane;methane;2-methyloxirane (CID 161094620) is 3-ethyl-3-methyloxetane;methane;2-methyloxirane.
What is the SMILES notation for 3-ethyl-3-methyloxetane;methane;2-methyloxirane?
The canonical SMILES for 3-ethyl-3-methyloxetane;methane;2-methyloxirane is C.C.CC1CO1.CCC1(C)COC1.
What is the InChIKey of 3-ethyl-3-methyloxetane;methane;2-methyloxirane?
The InChIKey is UHPXDKLQCXJSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C3H6O.2CH4/c1-3-6(2)4-7-5-6;1-3-2-4-3;;/h3-5H2,1-2H3;3H,2H2,1H3;2*1H4.
What are the key properties of 3-ethyl-3-methyloxetane;methane;2-methyloxirane?
3-ethyl-3-methyloxetane;methane;2-methyloxirane has a molecular weight of 190.33 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyloxetane;methane;2-methyloxirane is sourced from PubChem (CID 161094620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).