2,2-dimethylpropanoyl 2,2-dimethylpropanoate

C10H18O3 — CID 15234

IUPAC2,2-dimethylpropanoyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(=O)C(C)(C)C
InChIInChI=1S/C10H18O3/c1-9(2,3)7(11)13-8(12)10(4,5)6/h1-6H3
InChIKeyPGZVFRAEAAXREB-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.15
Rot. Bonds

About 2,2-dimethylpropanoyl 2,2-dimethylpropanoate

2,2-dimethylpropanoyl 2,2-dimethylpropanoate (PubChem CID 15234) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2,2-dimethylpropanoyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2,2-dimethylpropanoyl 2,2-dimethylpropanoate
PubChem CID15234
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2,2-dimethylpropanoyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(=O)C(C)(C)C
InChIInChI=1S/C10H18O3/c1-9(2,3)7(11)13-8(12)10(4,5)6/h1-6H3
InChIKeyPGZVFRAEAAXREB-UHFFFAOYSA-N
XLogP2.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoyl 2,2-dimethylpropanoate?
The IUPAC name of 2,2-dimethylpropanoyl 2,2-dimethylpropanoate (CID 15234) is 2,2-dimethylpropanoyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2,2-dimethylpropanoyl 2,2-dimethylpropanoate?
The canonical SMILES for 2,2-dimethylpropanoyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethylpropanoyl 2,2-dimethylpropanoate?
The InChIKey is PGZVFRAEAAXREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2,3)7(11)13-8(12)10(4,5)6/h1-6H3.
What are the key properties of 2,2-dimethylpropanoyl 2,2-dimethylpropanoate?
2,2-dimethylpropanoyl 2,2-dimethylpropanoate has a molecular weight of 186.25 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoyl 2,2-dimethylpropanoate is sourced from PubChem (CID 15234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).