5-ethoxy-2-(2-ethoxyethyl)pentanoic acid

C11H22O4 — CID 121219340

IUPAC5-ethoxy-2-(2-ethoxyethyl)pentanoic acid
SMILESCCOCCCC(CCOCC)C(=O)O
InChIInChI=1S/C11H22O4/c1-3-14-8-5-6-10(11(12)13)7-9-15-4-2/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyCIVREJGVLWUSGZ-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.93
Rot. Bonds10

About 5-ethoxy-2-(2-ethoxyethyl)pentanoic acid

5-ethoxy-2-(2-ethoxyethyl)pentanoic acid (PubChem CID 121219340) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 5-ethoxy-2-(2-ethoxyethyl)pentanoic acid.

Molecular Properties

Compound Name5-ethoxy-2-(2-ethoxyethyl)pentanoic acid
PubChem CID121219340
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name5-ethoxy-2-(2-ethoxyethyl)pentanoic acid
SMILESCCOCCCC(CCOCC)C(=O)O
InChIInChI=1S/C11H22O4/c1-3-14-8-5-6-10(11(12)13)7-9-15-4-2/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyCIVREJGVLWUSGZ-UHFFFAOYSA-N
XLogP1.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyethyl)-4-oxopentanoic acid
CID 57157218
6-ethoxy-3-ethylhexan-2-one
CID 65180817
5-ethoxy-2-methoxycarbonylpentanoic acid
CID 103973323
6-ethoxy-2-methylhexanoic acid
CID 21074373
2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid
CID 103416670
5-ethoxy-2-[(3-methylphenyl)methyl]pentanoic acid
CID 65180769
2-(aminomethyl)-7-ethoxy-5-methylheptanoic acid
CID 142270027
6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid
CID 103416672
ethoxyethane;2-ethyloctanoic acid
CID 87339497
CID 87702087
CID 87702087
(1-carboxy-3-ethoxypropyl)-triphenylphosphanium bromide
CID 22356948
2-[bis(3-ethoxypropoxy)phosphorylmethyl]pentanedioic acid
CID 140903597

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(2-ethoxyethyl)pentanoic acid?
The IUPAC name of 5-ethoxy-2-(2-ethoxyethyl)pentanoic acid (CID 121219340) is 5-ethoxy-2-(2-ethoxyethyl)pentanoic acid.
What is the SMILES notation for 5-ethoxy-2-(2-ethoxyethyl)pentanoic acid?
The canonical SMILES for 5-ethoxy-2-(2-ethoxyethyl)pentanoic acid is CCOCCCC(CCOCC)C(=O)O.
What is the InChIKey of 5-ethoxy-2-(2-ethoxyethyl)pentanoic acid?
The InChIKey is CIVREJGVLWUSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-3-14-8-5-6-10(11(12)13)7-9-15-4-2/h10H,3-9H2,1-2H3,(H,12,13).
What are the key properties of 5-ethoxy-2-(2-ethoxyethyl)pentanoic acid?
5-ethoxy-2-(2-ethoxyethyl)pentanoic acid has a molecular weight of 218.29 g/mol, XLogP of 1.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(2-ethoxyethyl)pentanoic acid is sourced from PubChem (CID 121219340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).