[2-methyl-2-(2-methylphenyl)propyl] acetate

C13H18O2 — CID 166865476

IUPAC[2-methyl-2-(2-methylphenyl)propyl] acetate
SMILESCC(=O)OCC(C)(C)c1ccccc1C
InChIInChI=1S/C13H18O2/c1-10-7-5-6-8-12(10)13(3,4)9-15-11(2)14/h5-8H,9H2,1-4H3
InChIKeyIWHLMQKERYQUCV-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.84
Rot. Bonds3

About [2-methyl-2-(2-methylphenyl)propyl] acetate

[2-methyl-2-(2-methylphenyl)propyl] acetate (PubChem CID 166865476) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is [2-methyl-2-(2-methylphenyl)propyl] acetate.

Molecular Properties

Compound Name[2-methyl-2-(2-methylphenyl)propyl] acetate
PubChem CID166865476
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name[2-methyl-2-(2-methylphenyl)propyl] acetate
SMILESCC(=O)OCC(C)(C)c1ccccc1C
InChIInChI=1S/C13H18O2/c1-10-7-5-6-8-12(10)13(3,4)9-15-11(2)14/h5-8H,9H2,1-4H3
InChIKeyIWHLMQKERYQUCV-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

aluminum;(2-methyl-2-phenylpropyl) acetate;trichloride
CID 68741763
methyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate
CID 115040899
[2-(4-hydroxyphenyl)-2-methylpropyl] acetate
CID 139774569
ethane;(2-methylphenyl)methyl acetate
CID 143177732
2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid
CID 115113081
ethyl 3-amino-3-(2-methylphenyl)butanoate
CID 79849157
acetyl 2,2-bis(2,3-dimethylphenyl)-2-hydroxyacetate
CID 54419247
methyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate
CID 66096855
[(2R)-2-benzyl-3-hydroxy-2-methylpropyl] acetate
CID 101384637
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine
CID 173188958
methyl carbonate;2-(2-methylphenyl)propan-2-ylazanium
CID 21288590

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(2-methylphenyl)propyl] acetate?
The IUPAC name of [2-methyl-2-(2-methylphenyl)propyl] acetate (CID 166865476) is [2-methyl-2-(2-methylphenyl)propyl] acetate.
What is the SMILES notation for [2-methyl-2-(2-methylphenyl)propyl] acetate?
The canonical SMILES for [2-methyl-2-(2-methylphenyl)propyl] acetate is CC(=O)OCC(C)(C)c1ccccc1C.
What is the InChIKey of [2-methyl-2-(2-methylphenyl)propyl] acetate?
The InChIKey is IWHLMQKERYQUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-7-5-6-8-12(10)13(3,4)9-15-11(2)14/h5-8H,9H2,1-4H3.
What are the key properties of [2-methyl-2-(2-methylphenyl)propyl] acetate?
[2-methyl-2-(2-methylphenyl)propyl] acetate has a molecular weight of 206.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(2-methylphenyl)propyl] acetate is sourced from PubChem (CID 166865476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).