[3-(2,3,3-trimethylbutan-2-yl)cyclobutyl] 2,2-dimethylpropanoate

C16H30O2 — CID 90148549

IUPAC[3-(2,3,3-trimethylbutan-2-yl)cyclobutyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CC(C(C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30O2/c1-14(2,3)13(17)18-12-9-11(10-12)16(7,8)15(4,5)6/h11-12H,9-10H2,1-8H3
InChIKeyJPIBYYLJGSYXHZ-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.43
Rot. Bonds2

About [3-(2,3,3-trimethylbutan-2-yl)cyclobutyl] 2,2-dimethylpropanoate

[3-(2,3,3-trimethylbutan-2-yl)cyclobutyl] 2,2-dimethylpropanoate (PubChem CID 90148549) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is [3-(2,3,3-trimethylbutan-2-yl)cyclobutyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-(2,3,3-trimethylbutan-2-yl)cyclobutyl] 2,2-dimethylpropanoate
PubChem CID90148549
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name[3-(2,3,3-trimethylbutan-2-yl)cyclobutyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CC(C(C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30O2/c1-14(2,3)13(17)18-12-9-11(10-12)16(7,8)15(4,5)6/h11-12H,9-10H2,1-8H3
InChIKeyJPIBYYLJGSYXHZ-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2,3,3-trimethylbutan-2-yl)cyclobutyl] 2,2-dimethylpropanoate?
The IUPAC name of [3-(2,3,3-trimethylbutan-2-yl)cyclobutyl] 2,2-dimethylpropanoate (CID 90148549) is [3-(2,3,3-trimethylbutan-2-yl)cyclobutyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-(2,3,3-trimethylbutan-2-yl)cyclobutyl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-(2,3,3-trimethylbutan-2-yl)cyclobutyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1CC(C(C)(C)C(C)(C)C)C1.
What is the InChIKey of [3-(2,3,3-trimethylbutan-2-yl)cyclobutyl] 2,2-dimethylpropanoate?
The InChIKey is JPIBYYLJGSYXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-14(2,3)13(17)18-12-9-11(10-12)16(7,8)15(4,5)6/h11-12H,9-10H2,1-8H3.
What are the key properties of [3-(2,3,3-trimethylbutan-2-yl)cyclobutyl] 2,2-dimethylpropanoate?
[3-(2,3,3-trimethylbutan-2-yl)cyclobutyl] 2,2-dimethylpropanoate has a molecular weight of 254.41 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3,3-trimethylbutan-2-yl)cyclobutyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 90148549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).