ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate

C16H24O3 — CID 106676840

IUPACethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate
SMILESCCOC(=O)C(OCCC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24O3/c1-5-18-15(17)14(13-9-7-6-8-10-13)19-12-11-16(2,3)4/h6-10,14H,5,11-12H2,1-4H3
InChIKeyAKUOOSYZKWCXPO-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.74
Rot. Bonds6

About ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate

ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate (PubChem CID 106676840) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate
PubChem CID106676840
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Nameethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate
SMILESCCOC(=O)C(OCCC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24O3/c1-5-18-15(17)14(13-9-7-6-8-10-13)19-12-11-16(2,3)4/h6-10,14H,5,11-12H2,1-4H3
InChIKeyAKUOOSYZKWCXPO-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-heptoxy-2-phenylacetate
CID 106676796
ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate
CID 171986152
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate
CID 106676848
benzyl 2-phenyl-2-propoxyacetate
CID 57015298
ethyl 2-iodooxy-2-phenylacetate
CID 70900074
ethyl (2S)-3,3-dimethyl-2-phenylbutanoate
CID 66805498
methyl (2R)-2-decoxy-2-phenylacetate
CID 45114277
ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate
CID 122517611
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
2-phenyl-2-propoxyacetohydrazide
CID 63569629
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate
CID 15850589

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate?
The IUPAC name of ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate (CID 106676840) is ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate?
The canonical SMILES for ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate is CCOC(=O)C(OCCC(C)(C)C)c1ccccc1.
What is the InChIKey of ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate?
The InChIKey is AKUOOSYZKWCXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-18-15(17)14(13-9-7-6-8-10-13)19-12-11-16(2,3)4/h6-10,14H,5,11-12H2,1-4H3.
What are the key properties of ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate?
ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate has a molecular weight of 264.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate is sourced from PubChem (CID 106676840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).