5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid

C14H26O6 — CID 103973962

IUPAC5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid
SMILESCCOCC(O)CC(CC(C)C)(C(=O)O)C(=O)OCC
InChIInChI=1S/C14H26O6/c1-5-19-9-11(15)8-14(12(16)17,7-10(3)4)13(18)20-6-2/h10-11,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyNTCDAGFKAMQJDL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.45
Rot. Bonds10

About 5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid

5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid (PubChem CID 103973962) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid.

Molecular Properties

Compound Name5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid
PubChem CID103973962
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Name5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid
SMILESCCOCC(O)CC(CC(C)C)(C(=O)O)C(=O)OCC
InChIInChI=1S/C14H26O6/c1-5-19-9-11(15)8-14(12(16)17,7-10(3)4)13(18)20-6-2/h10-11,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyNTCDAGFKAMQJDL-UHFFFAOYSA-N
XLogP1.45
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxycarbonyl-2-(2-methoxypropyl)-4-methylpentanoic acid
CID 113383104
2-ethoxycarbonyl-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid
CID 106706790
2-ethoxycarbonyl-2-(2-methylpropyl)pent-4-enoic acid
CID 103973920
2-ethoxycarbonyl-5,5,5-trifluoro-2-(2-methylpropyl)pentanoic acid
CID 103973958
2-ethoxycarbonyl-2-[2-(2-hydroxyethoxy)ethyl]-4-methylpentanoic acid
CID 113360401
2-ethoxycarbonyl-4-methyl-2-(2-methylsulfonylethyl)pentanoic acid
CID 113360390
ethyl (2S)-2-acetyl-2-ethyl-4-methylpentanoate
CID 10488829
2-ethoxycarbonyl-2-ethyl-4-(2-methylpropoxy)butanoic acid
CID 106460140
2-ethoxycarbonyl-4-methyl-2-[(4-methylphenyl)methyl]pentanoic acid
CID 103973957
diethyl 2-(2-methylpropyl)-2-prop-2-ynylpropanedioate
CID 103972782
diethyl 2-(2-methylpropyl)-2-pentylpropanedioate
CID 103972771
potassium 2-ethoxycarbonyl-2-ethyl-4-methylpentanoate
CID 23672133

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid?
The IUPAC name of 5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid (CID 103973962) is 5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid.
What is the SMILES notation for 5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid?
The canonical SMILES for 5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid is CCOCC(O)CC(CC(C)C)(C(=O)O)C(=O)OCC.
What is the InChIKey of 5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid?
The InChIKey is NTCDAGFKAMQJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6/c1-5-19-9-11(15)8-14(12(16)17,7-10(3)4)13(18)20-6-2/h10-11,15H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid?
5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid is sourced from PubChem (CID 103973962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).