2,2-dimethylpropyl 2-bromobenzoate

C12H15BrO2 — CID 603297

IUPAC2,2-dimethylpropyl 2-bromobenzoate
SMILESCC(C)(C)COC(=O)c1ccccc1Br
InChIInChI=1S/C12H15BrO2/c1-12(2,3)8-15-11(14)9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3
InChIKeyQARIGERYNUEHRO-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.65
Rot. Bonds2

About 2,2-dimethylpropyl 2-bromobenzoate

2,2-dimethylpropyl 2-bromobenzoate (PubChem CID 603297) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2-bromobenzoate.

Molecular Properties

Compound Name2,2-dimethylpropyl 2-bromobenzoate
PubChem CID603297
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2,2-dimethylpropyl 2-bromobenzoate
SMILESCC(C)(C)COC(=O)c1ccccc1Br
InChIInChI=1S/C12H15BrO2/c1-12(2,3)8-15-11(14)9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3
InChIKeyQARIGERYNUEHRO-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-bromobenzoyl)oxy-2-methylpropyl] 2-bromobenzoate
CID 23126042
potassium 2-(2,2-dimethylpropoxycarbonyl)benzoate
CID 131740285
ethane;propyl 2-bromobenzoate
CID 90697369
2-O-(2,2-dimethylpropyl) 1-O-(2-phenylethyl) benzene-1,2-dicarboxylate
CID 6421945
2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride
CID 44658058
1-(2-bromophenyl)-3,3-dimethylbutan-1-one
CID 71135058
(2,2,4,4-tetramethyl-3-oxopentyl) 2-aminobenzoate
CID 100921055
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 2-bromobenzoate
CID 7433917
2,2-dimethylpropyl 4-bromobenzoate
CID 11054767
2-O-(3,5-difluorophenyl) 1-O-(2,2-dimethylpropyl) benzene-1,2-dicarboxylate
CID 6423600
bis(4,4-dimethylpentyl) benzene-1,2-dicarboxylate
CID 69016024
[2-oxo-2-(propan-2-ylamino)ethyl] 2-bromobenzoate
CID 2416256

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2-bromobenzoate?
The IUPAC name of 2,2-dimethylpropyl 2-bromobenzoate (CID 603297) is 2,2-dimethylpropyl 2-bromobenzoate.
What is the SMILES notation for 2,2-dimethylpropyl 2-bromobenzoate?
The canonical SMILES for 2,2-dimethylpropyl 2-bromobenzoate is CC(C)(C)COC(=O)c1ccccc1Br.
What is the InChIKey of 2,2-dimethylpropyl 2-bromobenzoate?
The InChIKey is QARIGERYNUEHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-12(2,3)8-15-11(14)9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3.
What are the key properties of 2,2-dimethylpropyl 2-bromobenzoate?
2,2-dimethylpropyl 2-bromobenzoate has a molecular weight of 271.15 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 2-bromobenzoate is sourced from PubChem (CID 603297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).