ethyl 2-hydroxy-3-methoxy-2-methylpropanoate

C7H14O4 — CID 20566521

IUPACethyl 2-hydroxy-3-methoxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(O)COC
InChIInChI=1S/C7H14O4/c1-4-11-6(8)7(2,9)5-10-3/h9H,4-5H2,1-3H3
InChIKeyXFSUGQWISBKWOP-UHFFFAOYSA-N
MW162.18 g/mol
LogP-0.05
Rot. Bonds4

About ethyl 2-hydroxy-3-methoxy-2-methylpropanoate

ethyl 2-hydroxy-3-methoxy-2-methylpropanoate (PubChem CID 20566521) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-methoxy-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-methoxy-2-methylpropanoate
PubChem CID20566521
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Nameethyl 2-hydroxy-3-methoxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(O)COC
InChIInChI=1S/C7H14O4/c1-4-11-6(8)7(2,9)5-10-3/h9H,4-5H2,1-3H3
InChIKeyXFSUGQWISBKWOP-UHFFFAOYSA-N
XLogP-0.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate
CID 58354404
diethyl (2R)-2-hydroxy-2-methylbutanedioate
CID 12732542
ethyl 2-(methoxymethyl)-2-methyl-3-oxobutanoate
CID 6420389
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
ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate
CID 23297176
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10857788
1-O-ethyl 3-O-methyl 2-(ethoxymethyl)-2-hydroxypropanedioate
CID 90962392
2-ethoxycarbonyl-2-hydroxy-5,5-dimethyl-4-oxohexanoic acid
CID 134868896
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-methoxy-2-methylpropanoate?
The IUPAC name of ethyl 2-hydroxy-3-methoxy-2-methylpropanoate (CID 20566521) is ethyl 2-hydroxy-3-methoxy-2-methylpropanoate.
What is the SMILES notation for ethyl 2-hydroxy-3-methoxy-2-methylpropanoate?
The canonical SMILES for ethyl 2-hydroxy-3-methoxy-2-methylpropanoate is CCOC(=O)C(C)(O)COC.
What is the InChIKey of ethyl 2-hydroxy-3-methoxy-2-methylpropanoate?
The InChIKey is XFSUGQWISBKWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-4-11-6(8)7(2,9)5-10-3/h9H,4-5H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-3-methoxy-2-methylpropanoate?
ethyl 2-hydroxy-3-methoxy-2-methylpropanoate has a molecular weight of 162.18 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-methoxy-2-methylpropanoate is sourced from PubChem (CID 20566521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).