methyl 2-(2-acetyloxy-2-methylpropanoyl)benzoate

C14H16O5 — CID 146010999

IUPACmethyl 2-(2-acetyloxy-2-methylpropanoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)C(C)(C)OC(C)=O
InChIInChI=1S/C14H16O5/c1-9(15)19-14(2,3)12(16)10-7-5-6-8-11(10)13(17)18-4/h5-8H,1-4H3
InChIKeyUVWPYENNQGLYJH-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.00
Rot. Bonds4

About methyl 2-(2-acetyloxy-2-methylpropanoyl)benzoate

methyl 2-(2-acetyloxy-2-methylpropanoyl)benzoate (PubChem CID 146010999) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 2-(2-acetyloxy-2-methylpropanoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-acetyloxy-2-methylpropanoyl)benzoate
PubChem CID146010999
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Namemethyl 2-(2-acetyloxy-2-methylpropanoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)C(C)(C)OC(C)=O
InChIInChI=1S/C14H16O5/c1-9(15)19-14(2,3)12(16)10-7-5-6-8-11(10)13(17)18-4/h5-8H,1-4H3
InChIKeyUVWPYENNQGLYJH-UHFFFAOYSA-N
XLogP2.00
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
[2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate
CID 146010575
[1-(2,3-difluorophenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146010050
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-(tert-butylcarbamoyl)benzoate
CID 108785469
methyl 2-(2,2,3,3,4,4,4-heptafluorobutanoyl)benzoate
CID 146010980
[1-(2-chloro-3-fluorophenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146009843
methyl 2-(2-methyl-3-oxobutan-2-yl)benzoate
CID 10751401
[1-[3-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-oxopropan-2-yl] acetate
CID 146009028
methyl 2-methylbenzoate;1,1,1-trifluoroethane
CID 156877365
3-O-tert-butyl 1-O-methyl 2-hydroxybenzene-1,3-dicarboxylate
CID 174913311
methyl 2-phosphanylbenzoate
CID 156736008

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetyloxy-2-methylpropanoyl)benzoate?
The IUPAC name of methyl 2-(2-acetyloxy-2-methylpropanoyl)benzoate (CID 146010999) is methyl 2-(2-acetyloxy-2-methylpropanoyl)benzoate.
What is the SMILES notation for methyl 2-(2-acetyloxy-2-methylpropanoyl)benzoate?
The canonical SMILES for methyl 2-(2-acetyloxy-2-methylpropanoyl)benzoate is COC(=O)c1ccccc1C(=O)C(C)(C)OC(C)=O.
What is the InChIKey of methyl 2-(2-acetyloxy-2-methylpropanoyl)benzoate?
The InChIKey is UVWPYENNQGLYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-9(15)19-14(2,3)12(16)10-7-5-6-8-11(10)13(17)18-4/h5-8H,1-4H3.
What are the key properties of methyl 2-(2-acetyloxy-2-methylpropanoyl)benzoate?
methyl 2-(2-acetyloxy-2-methylpropanoyl)benzoate has a molecular weight of 264.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetyloxy-2-methylpropanoyl)benzoate is sourced from PubChem (CID 146010999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).