ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate

C22H28O2 — CID 134847476

IUPACethyl 2,2-bis(2,4,6-trimethylphenyl)acetate
SMILESCCOC(=O)C(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C22H28O2/c1-8-24-22(23)21(19-15(4)9-13(2)10-16(19)5)20-17(6)11-14(3)12-18(20)7/h9-12,21H,8H2,1-7H3
InChIKeyJVQVWHZKCAAFKI-UHFFFAOYSA-N
MW324.46 g/mol
LogP5.23
Rot. Bonds4

About ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate

ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate (PubChem CID 134847476) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2,2-bis(2,4,6-trimethylphenyl)acetate
PubChem CID134847476
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Nameethyl 2,2-bis(2,4,6-trimethylphenyl)acetate
SMILESCCOC(=O)C(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C22H28O2/c1-8-24-22(23)21(19-15(4)9-13(2)10-16(19)5)20-17(6)11-14(3)12-18(20)7/h9-12,21H,8H2,1-7H3
InChIKeyJVQVWHZKCAAFKI-UHFFFAOYSA-N
XLogP5.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
dimethyl 2-(2,4,6-trimethylphenyl)propanedioate
CID 2786932
ethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate
CID 72737307
methyl 2-[amino-(2,4,6-trimethylphenyl)methyl]butanoate
CID 116945983
ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate
CID 72736950
ethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate
CID 63039988
ethyl 3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171866152
methyl 3-(2,4,6-trimethylphenyl)hexanoate
CID 112508703
ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide
CID 62226068
ethyl (2,4,6-trimethylphenyl)sulfanylformate
CID 117035888
ethyl 5-cyano-4-oxo-5-(2,4,6-trimethylphenyl)pentanoate
CID 21387742

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate?
The IUPAC name of ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate (CID 134847476) is ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate.
What is the SMILES notation for ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate?
The canonical SMILES for ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate is CCOC(=O)C(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C.
What is the InChIKey of ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate?
The InChIKey is JVQVWHZKCAAFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2/c1-8-24-22(23)21(19-15(4)9-13(2)10-16(19)5)20-17(6)11-14(3)12-18(20)7/h9-12,21H,8H2,1-7H3.
What are the key properties of ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate?
ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate has a molecular weight of 324.46 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate is sourced from PubChem (CID 134847476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).