2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one

C13H24O2 — CID 66366398

IUPAC2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one
SMILESCCC1(C)C(=O)CC1OC(C)CC(C)C
InChIInChI=1S/C13H24O2/c1-6-13(5)11(14)8-12(13)15-10(4)7-9(2)3/h9-10,12H,6-8H2,1-5H3
InChIKeyYDRMWOXFBSJIOF-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.20
Rot. Bonds5

About 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one

2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one (PubChem CID 66366398) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one
PubChem CID66366398
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one
SMILESCCC1(C)C(=O)CC1OC(C)CC(C)C
InChIInChI=1S/C13H24O2/c1-6-13(5)11(14)8-12(13)15-10(4)7-9(2)3/h9-10,12H,6-8H2,1-5H3
InChIKeyYDRMWOXFBSJIOF-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one?
The IUPAC name of 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one (CID 66366398) is 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one.
What is the SMILES notation for 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one?
The canonical SMILES for 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one is CCC1(C)C(=O)CC1OC(C)CC(C)C.
What is the InChIKey of 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one?
The InChIKey is YDRMWOXFBSJIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-6-13(5)11(14)8-12(13)15-10(4)7-9(2)3/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one?
2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one has a molecular weight of 212.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one is sourced from PubChem (CID 66366398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).