3-ethyl-3-methyloxetane

C6H12O — CID 520761

IUPAC3-ethyl-3-methyloxetane
SMILESCCC1(C)COC1
InChIInChI=1S/C6H12O/c1-3-6(2)4-7-5-6/h3-5H2,1-2H3
InChIKeyLXGCIBZDAQMLHO-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.43
Rot. Bonds1

About 3-ethyl-3-methyloxetane

3-ethyl-3-methyloxetane (PubChem CID 520761) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 3-ethyl-3-methyloxetane.

Molecular Properties

Compound Name3-ethyl-3-methyloxetane
PubChem CID520761
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name3-ethyl-3-methyloxetane
SMILESCCC1(C)COC1
InChIInChI=1S/C6H12O/c1-3-6(2)4-7-5-6/h3-5H2,1-2H3
InChIKeyLXGCIBZDAQMLHO-UHFFFAOYSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Dimethyloxetane
CID 23352
3,3-Diethyloxetane
CID 25042
3-Ethyl-3-(iodomethyl)oxetane
CID 23092894
Oxetane, 3-methyl-3-propyl
CID 529341
3-Tertbutyl oxetane
CID 57869404
(3-Ethyloxetan-3-yl)methyl hypofluorite
CID 90391096
3-Ethyl-3-(fluoromethyl)oxetane
CID 117956424
3-Tert-butyl-3-fluorooxetane
CID 122426797
3-[(1S)-1-fluoroethyl]-3-methyloxetane
CID 167186436
3-[(1R)-1-fluoroethyl]-3-methyloxetane
CID 174272206
Oxetane, 3-ethyl
CID 529308
Oxetane, 3-methyl-3-(1,1-dimethylethyl)
CID 529318

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyloxetane?
The IUPAC name of 3-ethyl-3-methyloxetane (CID 520761) is 3-ethyl-3-methyloxetane.
What is the SMILES notation for 3-ethyl-3-methyloxetane?
The canonical SMILES for 3-ethyl-3-methyloxetane is CCC1(C)COC1.
What is the InChIKey of 3-ethyl-3-methyloxetane?
The InChIKey is LXGCIBZDAQMLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-3-6(2)4-7-5-6/h3-5H2,1-2H3.
What are the key properties of 3-ethyl-3-methyloxetane?
3-ethyl-3-methyloxetane has a molecular weight of 100.16 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyloxetane is sourced from PubChem (CID 520761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).