3-ethyl-2-methyloxetan-3-ol

C6H12O2 — CID 22138127

IUPAC3-ethyl-2-methyloxetan-3-ol
SMILESCCC1(O)COC1C
InChIInChI=1S/C6H12O2/c1-3-6(7)4-8-5(6)2/h5,7H,3-4H2,1-2H3
InChIKeyXVMSLZCOCVXNTE-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds1

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

3-ethyl-2-methyloxetan-3-ol (PubChem CID 22138127) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-ethyl-2-methyloxetan-3-ol.

Molecular Properties

Compound Name3-ethyl-2-methyloxetan-3-ol
PubChem CID22138127
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3-ethyl-2-methyloxetan-3-ol
SMILESCCC1(O)COC1C
InChIInChI=1S/C6H12O2/c1-3-6(7)4-8-5(6)2/h5,7H,3-4H2,1-2H3
InChIKeyXVMSLZCOCVXNTE-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 3-ethyl-2-methyloxetan-3-ol?
The IUPAC name of 3-ethyl-2-methyloxetan-3-ol (CID 22138127) is 3-ethyl-2-methyloxetan-3-ol.
What is the SMILES notation for 3-ethyl-2-methyloxetan-3-ol?
The canonical SMILES for 3-ethyl-2-methyloxetan-3-ol is CCC1(O)COC1C.
What is the InChIKey of 3-ethyl-2-methyloxetan-3-ol?
The InChIKey is XVMSLZCOCVXNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-6(7)4-8-5(6)2/h5,7H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-2-methyloxetan-3-ol?
3-ethyl-2-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 3-ethyl-2-methyloxetan-3-ol is sourced from PubChem (CID 22138127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).