2,3-bis(2,2-dimethylpropanoyl)-4-methylcyclobutane-1-carboxylic acid

C16H26O4 — CID 155358279

IUPAC2,3-bis(2,2-dimethylpropanoyl)-4-methylcyclobutane-1-carboxylic acid
SMILESCC1C(C(=O)O)C(C(=O)C(C)(C)C)C1C(=O)C(C)(C)C
InChIInChI=1S/C16H26O4/c1-8-9(12(17)15(2,3)4)11(10(8)14(19)20)13(18)16(5,6)7/h8-11H,1-7H3,(H,19,20)
InChIKeyDQFGRWZTBTUNGX-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.80
Rot. Bonds3

About 2,3-bis(2,2-dimethylpropanoyl)-4-methylcyclobutane-1-carboxylic acid

2,3-bis(2,2-dimethylpropanoyl)-4-methylcyclobutane-1-carboxylic acid (PubChem CID 155358279) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2,3-bis(2,2-dimethylpropanoyl)-4-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2,3-bis(2,2-dimethylpropanoyl)-4-methylcyclobutane-1-carboxylic acid
PubChem CID155358279
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name2,3-bis(2,2-dimethylpropanoyl)-4-methylcyclobutane-1-carboxylic acid
SMILESCC1C(C(=O)O)C(C(=O)C(C)(C)C)C1C(=O)C(C)(C)C
InChIInChI=1S/C16H26O4/c1-8-9(12(17)15(2,3)4)11(10(8)14(19)20)13(18)16(5,6)7/h8-11H,1-7H3,(H,19,20)
InChIKeyDQFGRWZTBTUNGX-UHFFFAOYSA-N
XLogP2.80
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2,2-dimethylpropanoyl)-4-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 2,3-bis(2,2-dimethylpropanoyl)-4-methylcyclobutane-1-carboxylic acid (CID 155358279) is 2,3-bis(2,2-dimethylpropanoyl)-4-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 2,3-bis(2,2-dimethylpropanoyl)-4-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 2,3-bis(2,2-dimethylpropanoyl)-4-methylcyclobutane-1-carboxylic acid is CC1C(C(=O)O)C(C(=O)C(C)(C)C)C1C(=O)C(C)(C)C.
What is the InChIKey of 2,3-bis(2,2-dimethylpropanoyl)-4-methylcyclobutane-1-carboxylic acid?
The InChIKey is DQFGRWZTBTUNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-8-9(12(17)15(2,3)4)11(10(8)14(19)20)13(18)16(5,6)7/h8-11H,1-7H3,(H,19,20).
What are the key properties of 2,3-bis(2,2-dimethylpropanoyl)-4-methylcyclobutane-1-carboxylic acid?
2,3-bis(2,2-dimethylpropanoyl)-4-methylcyclobutane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2,2-dimethylpropanoyl)-4-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 155358279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).