5-ethoxy-2-methoxycarbonylpentanoic acid

C9H16O5 — CID 103973323

IUPAC5-ethoxy-2-methoxycarbonylpentanoic acid
SMILESCCOCCCC(C(=O)O)C(=O)OC
InChIInChI=1S/C9H16O5/c1-3-14-6-4-5-7(8(10)11)9(12)13-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyIJOOEZRJLYYGDA-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.68
Rot. Bonds7

About 5-ethoxy-2-methoxycarbonylpentanoic acid

5-ethoxy-2-methoxycarbonylpentanoic acid (PubChem CID 103973323) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 5-ethoxy-2-methoxycarbonylpentanoic acid.

Molecular Properties

Compound Name5-ethoxy-2-methoxycarbonylpentanoic acid
PubChem CID103973323
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name5-ethoxy-2-methoxycarbonylpentanoic acid
SMILESCCOCCCC(C(=O)O)C(=O)OC
InChIInChI=1S/C9H16O5/c1-3-14-6-4-5-7(8(10)11)9(12)13-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyIJOOEZRJLYYGDA-UHFFFAOYSA-N
XLogP0.68
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

methyl 5-ethoxy-2-methylpentanoate
CID 123669552
5-ethoxy-2-(2-ethoxyethyl)pentanoic acid
CID 121219340
2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid
CID 103973267
tetramethyl pentane-1,1,5,5-tetracarboxylate
CID 2266639
6,6,6-trifluoro-2-methoxycarbonylhexanoic acid
CID 103973338
dimethyl 2-(3-phenylmethoxypropyl)propanedioate
CID 170992106
4-bromo-2-methoxycarbonylbutanoic acid
CID 84725637
6-ethoxy-2-methylhexanoic acid
CID 21074373
2-methoxycarbonylhexadec-9-enoic acid
CID 140652671
dimethyl 2-dodecylpropanedioate
CID 158514957
bis(3-ethoxypropyl) 2-propylpropanedioate
CID 101278733
N-(5-ethoxypentan-2-yl)acetamide
CID 89138295

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-methoxycarbonylpentanoic acid?
The IUPAC name of 5-ethoxy-2-methoxycarbonylpentanoic acid (CID 103973323) is 5-ethoxy-2-methoxycarbonylpentanoic acid.
What is the SMILES notation for 5-ethoxy-2-methoxycarbonylpentanoic acid?
The canonical SMILES for 5-ethoxy-2-methoxycarbonylpentanoic acid is CCOCCCC(C(=O)O)C(=O)OC.
What is the InChIKey of 5-ethoxy-2-methoxycarbonylpentanoic acid?
The InChIKey is IJOOEZRJLYYGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-3-14-6-4-5-7(8(10)11)9(12)13-2/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 5-ethoxy-2-methoxycarbonylpentanoic acid?
5-ethoxy-2-methoxycarbonylpentanoic acid has a molecular weight of 204.22 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-methoxycarbonylpentanoic acid is sourced from PubChem (CID 103973323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).