1-methoxyethyl 2-hydroxy-2-methylpropanoate

C7H14O4 — CID 175601186

IUPAC1-methoxyethyl 2-hydroxy-2-methylpropanoate
SMILESCOC(C)OC(=O)C(C)(C)O
InChIInChI=1S/C7H14O4/c1-5(10-4)11-6(8)7(2,3)9/h5,9H,1-4H3
InChIKeyCERYBKVNTFUHCT-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.29
Rot. Bonds3

About 1-methoxyethyl 2-hydroxy-2-methylpropanoate

1-methoxyethyl 2-hydroxy-2-methylpropanoate (PubChem CID 175601186) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-methoxyethyl 2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name1-methoxyethyl 2-hydroxy-2-methylpropanoate
PubChem CID175601186
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Name1-methoxyethyl 2-hydroxy-2-methylpropanoate
SMILESCOC(C)OC(=O)C(C)(C)O
InChIInChI=1S/C7H14O4/c1-5(10-4)11-6(8)7(2,3)9/h5,9H,1-4H3
InChIKeyCERYBKVNTFUHCT-UHFFFAOYSA-N
XLogP0.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate
CID 166505180
2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate
CID 159782312
1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate
CID 59371128
dipotassium;1,1-dimethoxyethane;carbonate
CID 174946253
1-acetyloxyethyl 2,2-dimethylpropanoate;3,3-dimethylbutan-2-one
CID 158576596
1-propan-2-yloxyethyl 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 123702828
dipropan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 139989252
[(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate
CID 118920598
tris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate
CID 162371791
1-methoxyethyl buta-2,3-dienoate
CID 21057454
6-(1-methoxyethoxy)-6-oxohexanoic acid
CID 87368895
1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate
CID 87848088

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl 2-hydroxy-2-methylpropanoate?
The IUPAC name of 1-methoxyethyl 2-hydroxy-2-methylpropanoate (CID 175601186) is 1-methoxyethyl 2-hydroxy-2-methylpropanoate.
What is the SMILES notation for 1-methoxyethyl 2-hydroxy-2-methylpropanoate?
The canonical SMILES for 1-methoxyethyl 2-hydroxy-2-methylpropanoate is COC(C)OC(=O)C(C)(C)O.
What is the InChIKey of 1-methoxyethyl 2-hydroxy-2-methylpropanoate?
The InChIKey is CERYBKVNTFUHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-5(10-4)11-6(8)7(2,3)9/h5,9H,1-4H3.
What are the key properties of 1-methoxyethyl 2-hydroxy-2-methylpropanoate?
1-methoxyethyl 2-hydroxy-2-methylpropanoate has a molecular weight of 162.19 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl 2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 175601186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).