methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate

C17H26O3 — CID 62395638

IUPACmethyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate
SMILESCOC(=O)C(C(C)C)C(C)(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H26O3/c1-10(2)14(16(18)20-7)17(6,19)15-12(4)8-11(3)9-13(15)5/h8-10,14,19H,1-7H3
InChIKeyIVDXEIATHBZFSH-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.26
Rot. Bonds4

About methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate

methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate (PubChem CID 62395638) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate
PubChem CID62395638
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Namemethyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate
SMILESCOC(=O)C(C(C)C)C(C)(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H26O3/c1-10(2)14(16(18)20-7)17(6,19)15-12(4)8-11(3)9-13(15)5/h8-10,14,19H,1-7H3
InChIKeyIVDXEIATHBZFSH-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 62395949
3-methyl-2-(2,4,6-trimethylphenyl)butan-2-ol
CID 91656437
methyl 3-hydroxy-3-[4-(2-methylpropyl)phenyl]-2-propan-2-ylbutanoate
CID 62395639
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate
CID 62395794
dimethyl 2-(2,4,6-trimethylphenyl)propanedioate
CID 2786932
methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 62395777
(2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol
CID 11172007
ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate
CID 60787163
3-(2,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62398844
dimethyl 2-[(2,4,6-trimethylphenyl)methyl]propanedioate
CID 94276263
3-(2,5-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62399045
(2S)-2-amino-2-(2-methoxy-4,6-dimethylphenyl)propanoic acid
CID 165354727

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate?
The IUPAC name of methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate (CID 62395638) is methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate.
What is the SMILES notation for methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate?
The canonical SMILES for methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate is COC(=O)C(C(C)C)C(C)(O)c1c(C)cc(C)cc1C.
What is the InChIKey of methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate?
The InChIKey is IVDXEIATHBZFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-10(2)14(16(18)20-7)17(6,19)15-12(4)8-11(3)9-13(15)5/h8-10,14,19H,1-7H3.
What are the key properties of methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate?
methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate has a molecular weight of 278.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate is sourced from PubChem (CID 62395638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).