methyl 2-acetyl-4-(2-methoxyethoxy)pentanoate

C11H20O5 — CID 15595378

IUPACmethyl 2-acetyl-4-(2-methoxyethoxy)pentanoate
SMILESCOCCOC(C)CC(C(C)=O)C(=O)OC
InChIInChI=1S/C11H20O5/c1-8(16-6-5-14-3)7-10(9(2)12)11(13)15-4/h8,10H,5-7H2,1-4H3
InChIKeyCSLQDZTUPRETBB-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.81
Rot. Bonds8

About methyl 2-acetyl-4-(2-methoxyethoxy)pentanoate

methyl 2-acetyl-4-(2-methoxyethoxy)pentanoate (PubChem CID 15595378) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 2-acetyl-4-(2-methoxyethoxy)pentanoate.

Molecular Properties

Compound Namemethyl 2-acetyl-4-(2-methoxyethoxy)pentanoate
PubChem CID15595378
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Namemethyl 2-acetyl-4-(2-methoxyethoxy)pentanoate
SMILESCOCCOC(C)CC(C(C)=O)C(=O)OC
InChIInChI=1S/C11H20O5/c1-8(16-6-5-14-3)7-10(9(2)12)11(13)15-4/h8,10H,5-7H2,1-4H3
InChIKeyCSLQDZTUPRETBB-UHFFFAOYSA-N
XLogP0.81
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl 2-acetyl-4-(2-methoxyethoxy)pentanoate?
The IUPAC name of methyl 2-acetyl-4-(2-methoxyethoxy)pentanoate (CID 15595378) is methyl 2-acetyl-4-(2-methoxyethoxy)pentanoate.
What is the SMILES notation for methyl 2-acetyl-4-(2-methoxyethoxy)pentanoate?
The canonical SMILES for methyl 2-acetyl-4-(2-methoxyethoxy)pentanoate is COCCOC(C)CC(C(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetyl-4-(2-methoxyethoxy)pentanoate?
The InChIKey is CSLQDZTUPRETBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-8(16-6-5-14-3)7-10(9(2)12)11(13)15-4/h8,10H,5-7H2,1-4H3.
What are the key properties of methyl 2-acetyl-4-(2-methoxyethoxy)pentanoate?
methyl 2-acetyl-4-(2-methoxyethoxy)pentanoate has a molecular weight of 232.28 g/mol, XLogP of 0.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyl-4-(2-methoxyethoxy)pentanoate is sourced from PubChem (CID 15595378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).