4-[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid

C14H26O9 — CID 58325913

IUPAC4-[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
SMILES[2H]OCCOCCOCCOCCOCCOC(=O)CCC(=O)O
InChIInChI=1S/C14H26O9/c15-3-4-19-5-6-20-7-8-21-9-10-22-11-12-23-14(18)2-1-13(16)17/h15H,1-12H2,(H,16,17)/i15D
InChIKeyJSIRMZCPKIUALJ-RWFJLFJASA-N
MW339.36 g/mol
LogP-0.55
Rot. Bonds18

About 4-[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid

4-[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid (PubChem CID 58325913) has the molecular formula C14H26O9 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
PubChem CID58325913
Molecular FormulaC14H26O9
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name4-[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
SMILES[2H]OCCOCCOCCOCCOCCOC(=O)CCC(=O)O
InChIInChI=1S/C14H26O9/c15-3-4-19-5-6-20-7-8-21-9-10-22-11-12-23-14(18)2-1-13(16)17/h15H,1-12H2,(H,16,17)/i15D
InChIKeyJSIRMZCPKIUALJ-RWFJLFJASA-N
XLogP-0.55
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-(3-carboxypropanoyloxy)ethoxy]butoxy]-4-oxobutanoic acid
CID 89178356
6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid
CID 88544057
4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid
CID 58559856
4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 21421399
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecanoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 162774593
4-oxo-4-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]butanoic acid;2-(2-propanoyloxyethoxy)ethyl propanoate
CID 160907308
4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 118136972
12-O-[2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-12-oxododecanoyl]oxyethoxy]ethoxy]ethyl] 1-O-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] dodecanedioate
CID 102469729
6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate
CID 87303267
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
4-(2-bromoethoxy)-4-oxobutanoic acid
CID 3289614
4-[2-[6-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyhexoxy]ethoxy]-4-oxobutanoic acid
CID 88546918

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid?
The IUPAC name of 4-[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid (CID 58325913) is 4-[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid is [2H]OCCOCCOCCOCCOCCOC(=O)CCC(=O)O.
What is the InChIKey of 4-[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid?
The InChIKey is JSIRMZCPKIUALJ-RWFJLFJASA-N. The full InChI is InChI=1S/C14H26O9/c15-3-4-19-5-6-20-7-8-21-9-10-22-11-12-23-14(18)2-1-13(16)17/h15H,1-12H2,(H,16,17)/i15D.
What are the key properties of 4-[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid?
4-[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid has a molecular weight of 339.36 g/mol, XLogP of -0.55, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid is sourced from PubChem (CID 58325913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).