2-phenylbutan-2-yl 2-methylbutanoate

C15H22O2 — CID 59331016

IUPAC2-phenylbutan-2-yl 2-methylbutanoate
SMILESCCC(C)C(=O)OC(C)(CC)c1ccccc1
InChIInChI=1S/C15H22O2/c1-5-12(3)14(16)17-15(4,6-2)13-10-8-7-9-11-13/h7-12H,5-6H2,1-4H3
InChIKeyJIDLXRGNGSNUEJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.90
Rot. Bonds5

About 2-phenylbutan-2-yl 2-methylbutanoate

2-phenylbutan-2-yl 2-methylbutanoate (PubChem CID 59331016) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-phenylbutan-2-yl 2-methylbutanoate.

Molecular Properties

Compound Name2-phenylbutan-2-yl 2-methylbutanoate
PubChem CID59331016
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-phenylbutan-2-yl 2-methylbutanoate
SMILESCCC(C)C(=O)OC(C)(CC)c1ccccc1
InChIInChI=1S/C15H22O2/c1-5-12(3)14(16)17-15(4,6-2)13-10-8-7-9-11-13/h7-12H,5-6H2,1-4H3
InChIKeyJIDLXRGNGSNUEJ-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-hydroperoxybutan-2-ylbenzene
CID 15510207
tert-butyl 2-methyl-3-phenylpropanoate;propane
CID 145135005
2-phenylbutan-2-yl ethaneperoxoate
CID 167293135
(4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate
CID 90300409
2-methylbutanoyloxy(triphenyl)phosphanium
CID 174535437
phenyl 2-methylbutanoate;trimethylalumane
CID 155613755
(4-phenylphenyl) (2S)-2-methylbutanoate
CID 18638110
(1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate
CID 102005654
3-methyl-2-phenylpentan-2-ol
CID 13024634
2,2-dimethylpentyl 2-methylbutanoate;ethane;toluene
CID 155718140
1,1,2,2,3,3-hexafluorobutyl 2-methylbutanoate
CID 129082618
2-phenylpropan-2-yl carbamate;propane
CID 175117543

Frequently Asked Questions

What is the IUPAC name of 2-phenylbutan-2-yl 2-methylbutanoate?
The IUPAC name of 2-phenylbutan-2-yl 2-methylbutanoate (CID 59331016) is 2-phenylbutan-2-yl 2-methylbutanoate.
What is the SMILES notation for 2-phenylbutan-2-yl 2-methylbutanoate?
The canonical SMILES for 2-phenylbutan-2-yl 2-methylbutanoate is CCC(C)C(=O)OC(C)(CC)c1ccccc1.
What is the InChIKey of 2-phenylbutan-2-yl 2-methylbutanoate?
The InChIKey is JIDLXRGNGSNUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-12(3)14(16)17-15(4,6-2)13-10-8-7-9-11-13/h7-12H,5-6H2,1-4H3.
What are the key properties of 2-phenylbutan-2-yl 2-methylbutanoate?
2-phenylbutan-2-yl 2-methylbutanoate has a molecular weight of 234.34 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbutan-2-yl 2-methylbutanoate is sourced from PubChem (CID 59331016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).