tert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate

C18H28O3 — CID 145439931

IUPACtert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate
SMILESCCc1cc(C)c(OC(C)(C)C(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C18H28O3/c1-9-14-10-12(2)15(13(3)11-14)20-18(7,8)16(19)21-17(4,5)6/h10-11H,9H2,1-8H3
InChIKeyHUFQVGOBDWUGMA-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.36
Rot. Bonds4

About tert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate

tert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate (PubChem CID 145439931) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is tert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate
PubChem CID145439931
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Nametert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate
SMILESCCc1cc(C)c(OC(C)(C)C(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C18H28O3/c1-9-14-10-12(2)15(13(3)11-14)20-18(7,8)16(19)21-17(4,5)6/h10-11H,9H2,1-8H3
InChIKeyHUFQVGOBDWUGMA-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid
CID 145439775
tert-butyl 2-[4-[(E)-3-(6-ethyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 155659833
tert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate
CID 118443288
ethyl 2-(2,6-dimethyl-4-sulfanylphenoxy)-2-methylpropanoate
CID 176907549
ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate
CID 155631420
tert-butyl 4-ethyl-2-methylbenzoate
CID 123623163
tert-butyl 2-[4-[(E)-3-(3,5-dimethyl-4-nitrosophenyl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 143084082
ethyl 2-[2,6-dimethyl-4-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-phenylmethoxycarbonylamino]methyl]phenoxy]-2-methylpropanoate
CID 58964678
tert-butyl [4-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methyl]-2,6-dimethylphenyl] carbonate
CID 163440793
tert-butyl 2-[4-[3-(2-hexoxyphenyl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 91141712
tert-butyl 2-[2,6-dimethyl-4-[[[2-(methylamino)-2-oxoethyl]-[(5-methyl-2-phenyltriazol-4-yl)methyl]amino]methyl]phenoxy]-2-methylpropanoate
CID 143176014
phenyl (3R,4R)-3-benzoyl-4-[2-[3,5-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyphenyl]ethyl]pyrrolidine-1-carboxylate
CID 153411976

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate?
The IUPAC name of tert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate (CID 145439931) is tert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate is CCc1cc(C)c(OC(C)(C)C(=O)OC(C)(C)C)c(C)c1.
What is the InChIKey of tert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate?
The InChIKey is HUFQVGOBDWUGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-9-14-10-12(2)15(13(3)11-14)20-18(7,8)16(19)21-17(4,5)6/h10-11H,9H2,1-8H3.
What are the key properties of tert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate?
tert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate has a molecular weight of 292.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate is sourced from PubChem (CID 145439931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).