2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one

C13H24O2 — CID 176614706

IUPAC2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one
SMILESCCC(C)(C)OC1(C(=O)C(C)C)CCC1
InChIInChI=1S/C13H24O2/c1-6-12(4,5)15-13(8-7-9-13)11(14)10(2)3/h10H,6-9H2,1-5H3
InChIKeyNXZJDDLQHJOAMO-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.34
Rot. Bonds5

About 2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one

2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one (PubChem CID 176614706) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one
PubChem CID176614706
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one
SMILESCCC(C)(C)OC1(C(=O)C(C)C)CCC1
InChIInChI=1S/C13H24O2/c1-6-12(4,5)15-13(8-7-9-13)11(14)10(2)3/h10H,6-9H2,1-5H3
InChIKeyNXZJDDLQHJOAMO-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylic acid
CID 82238741
1-(1-ethoxycyclobutyl)-2-methylpropan-1-one
CID 176614668
1-(1-butoxycyclopentyl)-2-methylpropan-1-one
CID 176614425
1-(1-butan-2-yloxycyclopentyl)-2-methylpropan-1-one
CID 176614445
2-methyl-1-[1-(2-methylpropoxy)cyclohexyl]propan-1-one
CID 176614695
1-(1-methoxycyclopentyl)-2-methylpropan-1-one
CID 104610067
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one
CID 116749813
2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one
CID 176614549
[1-(2-methylpropanoyl)cyclohexyl]oxy formate
CID 175217339
2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one
CID 176614503
1-(1-hexoxycyclopropyl)-2-methylpropan-1-one
CID 176614699
2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one
CID 176614654

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one (CID 176614706) is 2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one is CCC(C)(C)OC1(C(=O)C(C)C)CCC1.
What is the InChIKey of 2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one?
The InChIKey is NXZJDDLQHJOAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-6-12(4,5)15-13(8-7-9-13)11(14)10(2)3/h10H,6-9H2,1-5H3.
What are the key properties of 2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one?
2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one has a molecular weight of 212.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one is sourced from PubChem (CID 176614706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).