2-methoxyethyl 2-hydroxy-5-methoxy-2-methyl-3-oxopentanoate

C10H18O6 — CID 19075703

IUPAC2-methoxyethyl 2-hydroxy-5-methoxy-2-methyl-3-oxopentanoate
SMILESCOCCOC(=O)C(C)(O)C(=O)CCOC
InChIInChI=1S/C10H18O6/c1-10(13,8(11)4-5-14-2)9(12)16-7-6-15-3/h13H,4-7H2,1-3H3
InChIKeyHLLIYOOUGFKNBL-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.47
Rot. Bonds8

About 2-methoxyethyl 2-hydroxy-5-methoxy-2-methyl-3-oxopentanoate

2-methoxyethyl 2-hydroxy-5-methoxy-2-methyl-3-oxopentanoate (PubChem CID 19075703) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-methoxyethyl 2-hydroxy-5-methoxy-2-methyl-3-oxopentanoate.

Molecular Properties

Compound Name2-methoxyethyl 2-hydroxy-5-methoxy-2-methyl-3-oxopentanoate
PubChem CID19075703
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name2-methoxyethyl 2-hydroxy-5-methoxy-2-methyl-3-oxopentanoate
SMILESCOCCOC(=O)C(C)(O)C(=O)CCOC
InChIInChI=1S/C10H18O6/c1-10(13,8(11)4-5-14-2)9(12)16-7-6-15-3/h13H,4-7H2,1-3H3
InChIKeyHLLIYOOUGFKNBL-UHFFFAOYSA-N
XLogP-0.47
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-hydroxy-5-methoxy-2-methyl-3-oxopentanoate?
The IUPAC name of 2-methoxyethyl 2-hydroxy-5-methoxy-2-methyl-3-oxopentanoate (CID 19075703) is 2-methoxyethyl 2-hydroxy-5-methoxy-2-methyl-3-oxopentanoate.
What is the SMILES notation for 2-methoxyethyl 2-hydroxy-5-methoxy-2-methyl-3-oxopentanoate?
The canonical SMILES for 2-methoxyethyl 2-hydroxy-5-methoxy-2-methyl-3-oxopentanoate is COCCOC(=O)C(C)(O)C(=O)CCOC.
What is the InChIKey of 2-methoxyethyl 2-hydroxy-5-methoxy-2-methyl-3-oxopentanoate?
The InChIKey is HLLIYOOUGFKNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-10(13,8(11)4-5-14-2)9(12)16-7-6-15-3/h13H,4-7H2,1-3H3.
What are the key properties of 2-methoxyethyl 2-hydroxy-5-methoxy-2-methyl-3-oxopentanoate?
2-methoxyethyl 2-hydroxy-5-methoxy-2-methyl-3-oxopentanoate has a molecular weight of 234.25 g/mol, XLogP of -0.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-hydroxy-5-methoxy-2-methyl-3-oxopentanoate is sourced from PubChem (CID 19075703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).