3-(2,6-dimethylphenoxy)-2-ethyl-2-methylcyclobutan-1-one

C15H20O2 — CID 66366568

IUPAC3-(2,6-dimethylphenoxy)-2-ethyl-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1Oc1c(C)cccc1C
InChIInChI=1S/C15H20O2/c1-5-15(4)12(16)9-13(15)17-14-10(2)7-6-8-11(14)3/h6-8,13H,5,9H2,1-4H3
InChIKeyOYZKBHUDLMUNKS-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.44
Rot. Bonds3

About 3-(2,6-dimethylphenoxy)-2-ethyl-2-methylcyclobutan-1-one

3-(2,6-dimethylphenoxy)-2-ethyl-2-methylcyclobutan-1-one (PubChem CID 66366568) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)-2-ethyl-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)-2-ethyl-2-methylcyclobutan-1-one
PubChem CID66366568
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-(2,6-dimethylphenoxy)-2-ethyl-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1Oc1c(C)cccc1C
InChIInChI=1S/C15H20O2/c1-5-15(4)12(16)9-13(15)17-14-10(2)7-6-8-11(14)3/h6-8,13H,5,9H2,1-4H3
InChIKeyOYZKBHUDLMUNKS-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)-2-ethyl-2-methylcyclobutan-1-one?
The IUPAC name of 3-(2,6-dimethylphenoxy)-2-ethyl-2-methylcyclobutan-1-one (CID 66366568) is 3-(2,6-dimethylphenoxy)-2-ethyl-2-methylcyclobutan-1-one.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)-2-ethyl-2-methylcyclobutan-1-one?
The canonical SMILES for 3-(2,6-dimethylphenoxy)-2-ethyl-2-methylcyclobutan-1-one is CCC1(C)C(=O)CC1Oc1c(C)cccc1C.
What is the InChIKey of 3-(2,6-dimethylphenoxy)-2-ethyl-2-methylcyclobutan-1-one?
The InChIKey is OYZKBHUDLMUNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-5-15(4)12(16)9-13(15)17-14-10(2)7-6-8-11(14)3/h6-8,13H,5,9H2,1-4H3.
What are the key properties of 3-(2,6-dimethylphenoxy)-2-ethyl-2-methylcyclobutan-1-one?
3-(2,6-dimethylphenoxy)-2-ethyl-2-methylcyclobutan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)-2-ethyl-2-methylcyclobutan-1-one is sourced from PubChem (CID 66366568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).