2-ethyl-3-methyloxetan-3-ol

C6H12O2 — CID 22138130

IUPAC2-ethyl-3-methyloxetan-3-ol
SMILESCCC1OCC1(C)O
InChIInChI=1S/C6H12O2/c1-3-5-6(2,7)4-8-5/h5,7H,3-4H2,1-2H3
InChIKeyQFMAQJUOWDJTGM-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds1

About 2-ethyl-3-methyloxetan-3-ol

2-ethyl-3-methyloxetan-3-ol (PubChem CID 22138130) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-ethyl-3-methyloxetan-3-ol.

Molecular Properties

Compound Name2-ethyl-3-methyloxetan-3-ol
PubChem CID22138130
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-ethyl-3-methyloxetan-3-ol
SMILESCCC1OCC1(C)O
InChIInChI=1S/C6H12O2/c1-3-5-6(2,7)4-8-5/h5,7H,3-4H2,1-2H3
InChIKeyQFMAQJUOWDJTGM-UHFFFAOYSA-N
XLogP0.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyloxetan-3-ol?
The IUPAC name of 2-ethyl-3-methyloxetan-3-ol (CID 22138130) is 2-ethyl-3-methyloxetan-3-ol.
What is the SMILES notation for 2-ethyl-3-methyloxetan-3-ol?
The canonical SMILES for 2-ethyl-3-methyloxetan-3-ol is CCC1OCC1(C)O.
What is the InChIKey of 2-ethyl-3-methyloxetan-3-ol?
The InChIKey is QFMAQJUOWDJTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-5-6(2,7)4-8-5/h5,7H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-3-methyloxetan-3-ol?
2-ethyl-3-methyloxetan-3-ol has a molecular weight of 116.16 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyloxetan-3-ol is sourced from PubChem (CID 22138130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).