(3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate

C11H20O5 — CID 58354404

IUPAC(3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(O)COC(=O)C(C)(C)C
InChIInChI=1S/C11H20O5/c1-6-15-9(13)11(5,14)7-16-8(12)10(2,3)4/h14H,6-7H2,1-5H3
InChIKeyWZOMHNXXTLSUNU-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.89
Rot. Bonds4

About (3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate

(3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate (PubChem CID 58354404) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate
PubChem CID58354404
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(O)COC(=O)C(C)(C)C
InChIInChI=1S/C11H20O5/c1-6-15-9(13)11(5,14)7-16-8(12)10(2,3)4/h14H,6-7H2,1-5H3
InChIKeyWZOMHNXXTLSUNU-UHFFFAOYSA-N
XLogP0.89
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2-hydroxy-3-methoxy-2-methylpropanoate
CID 20566521
diethyl 2-(2,2-dimethylpropanoyloxymethyl)-2-ethylpropanedioate
CID 88990098
(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate
CID 10583373
ethyl 2,2-dimethylpropanoate;2-oxopropanoic acid
CID 157432719
diethyl (2R)-2-hydroxy-2-methylbutanedioate
CID 12732542
azidomethane;ethyl 2,2-dimethylpropanoate;phosphane
CID 161474918
ethyl 4-(dimethylamino)-2-hydroxy-2-methyl-4-oxobutanoate
CID 87491131
diethyl (2S)-2-hydroxy-2-methyl-4-oxopentanedioate
CID 11630017
ethyl 3-azido-2-hydroxy-2-methylpropanoate
CID 86095918
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
ethoxycarbonyloxymethyl 2,2-dimethylpropanoate
CID 153463655

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate?
The IUPAC name of (3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate (CID 58354404) is (3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate?
The canonical SMILES for (3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate is CCOC(=O)C(C)(O)COC(=O)C(C)(C)C.
What is the InChIKey of (3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate?
The InChIKey is WZOMHNXXTLSUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-6-15-9(13)11(5,14)7-16-8(12)10(2,3)4/h14H,6-7H2,1-5H3.
What are the key properties of (3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate?
(3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate has a molecular weight of 232.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 58354404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).