ethyl 5-hydroxy-2-(2-methoxyethyl)-2-methylpentanoate

C11H22O4 — CID 58052452

IUPACethyl 5-hydroxy-2-(2-methoxyethyl)-2-methylpentanoate
SMILESCCOC(=O)C(C)(CCCO)CCOC
InChIInChI=1S/C11H22O4/c1-4-15-10(13)11(2,6-5-8-12)7-9-14-3/h12H,4-9H2,1-3H3
InChIKeyIRRUQZNSXNSBEG-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.36
Rot. Bonds8

About ethyl 5-hydroxy-2-(2-methoxyethyl)-2-methylpentanoate

ethyl 5-hydroxy-2-(2-methoxyethyl)-2-methylpentanoate (PubChem CID 58052452) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-(2-methoxyethyl)-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-(2-methoxyethyl)-2-methylpentanoate
PubChem CID58052452
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Nameethyl 5-hydroxy-2-(2-methoxyethyl)-2-methylpentanoate
SMILESCCOC(=O)C(C)(CCCO)CCOC
InChIInChI=1S/C11H22O4/c1-4-15-10(13)11(2,6-5-8-12)7-9-14-3/h12H,4-9H2,1-3H3
InChIKeyIRRUQZNSXNSBEG-UHFFFAOYSA-N
XLogP1.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-(2-methoxyethyl)-2-methylpentanoate?
The IUPAC name of ethyl 5-hydroxy-2-(2-methoxyethyl)-2-methylpentanoate (CID 58052452) is ethyl 5-hydroxy-2-(2-methoxyethyl)-2-methylpentanoate.
What is the SMILES notation for ethyl 5-hydroxy-2-(2-methoxyethyl)-2-methylpentanoate?
The canonical SMILES for ethyl 5-hydroxy-2-(2-methoxyethyl)-2-methylpentanoate is CCOC(=O)C(C)(CCCO)CCOC.
What is the InChIKey of ethyl 5-hydroxy-2-(2-methoxyethyl)-2-methylpentanoate?
The InChIKey is IRRUQZNSXNSBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-4-15-10(13)11(2,6-5-8-12)7-9-14-3/h12H,4-9H2,1-3H3.
What are the key properties of ethyl 5-hydroxy-2-(2-methoxyethyl)-2-methylpentanoate?
ethyl 5-hydroxy-2-(2-methoxyethyl)-2-methylpentanoate has a molecular weight of 218.29 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-(2-methoxyethyl)-2-methylpentanoate is sourced from PubChem (CID 58052452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).