2-phenylpropan-2-yl 2,2-dimethylbutanoate

C15H22O2 — CID 18730969

IUPAC2-phenylpropan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)c1ccccc1
InChIInChI=1S/C15H22O2/c1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12/h7-11H,6H2,1-5H3
InChIKeyVIZWIRJSBDTHLZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.90
Rot. Bonds4

About 2-phenylpropan-2-yl 2,2-dimethylbutanoate

2-phenylpropan-2-yl 2,2-dimethylbutanoate (PubChem CID 18730969) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-phenylpropan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-phenylpropan-2-yl 2,2-dimethylbutanoate
PubChem CID18730969
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-phenylpropan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)c1ccccc1
InChIInChI=1S/C15H22O2/c1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12/h7-11H,6H2,1-5H3
InChIKeyVIZWIRJSBDTHLZ-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate
CID 20813224
2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate
CID 20813215
2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate
CID 177286394
2-phenylpropan-2-yl carbamate;propane
CID 175117543
2-phenylpropan-2-yl 4-(4-hydroxyphenyl)-2,2-dimethylhexanoate
CID 20813241
(1-naphthalen-1-yl-1-phenylethyl) 2,2-dimethylbutanoate
CID 20813193
methyl 2-methyl-2-phenylbutanoate
CID 562613
2-phenylpropan-2-yl 3-oxobutanoate
CID 13319262
2-phenylpropan-2-yl 3-[3-oxo-3-(2-phenylpropan-2-yloxy)propyl]sulfanylpropanoate
CID 70006698
2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate
CID 160872779
2-phenylpropan-2-yl 2-(4-ethenylbenzoyl)-2-methylbutanoate
CID 22081647
2-phenylpropan-2-yl pyrimidine-2-carboxylate
CID 90711352

Frequently Asked Questions

What is the IUPAC name of 2-phenylpropan-2-yl 2,2-dimethylbutanoate?
The IUPAC name of 2-phenylpropan-2-yl 2,2-dimethylbutanoate (CID 18730969) is 2-phenylpropan-2-yl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-phenylpropan-2-yl 2,2-dimethylbutanoate?
The canonical SMILES for 2-phenylpropan-2-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C)c1ccccc1.
What is the InChIKey of 2-phenylpropan-2-yl 2,2-dimethylbutanoate?
The InChIKey is VIZWIRJSBDTHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12/h7-11H,6H2,1-5H3.
What are the key properties of 2-phenylpropan-2-yl 2,2-dimethylbutanoate?
2-phenylpropan-2-yl 2,2-dimethylbutanoate has a molecular weight of 234.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 18730969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).