5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid

C17H32O9 — CID 91047897

IUPAC5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid
SMILESCCCC(O)OCCOCCOCCOCCOC(=O)CCCC(=O)O
InChIInChI=1S/C17H32O9/c1-2-4-16(20)25-13-11-23-9-7-22-8-10-24-12-14-26-17(21)6-3-5-15(18)19/h16,20H,2-14H2,1H3,(H,18,19)
InChIKeyCYRGZJAFMDVPEF-UHFFFAOYSA-N
MW380.43 g/mol
LogP0.97
Rot. Bonds19

About 5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid

5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid (PubChem CID 91047897) has the molecular formula C17H32O9 and a molecular weight of 380.43 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid
PubChem CID91047897
Molecular FormulaC17H32O9
Molecular Weight380.43 g/mol
Exact Mass380.20
IUPAC Name5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid
SMILESCCCC(O)OCCOCCOCCOCCOC(=O)CCCC(=O)O
InChIInChI=1S/C17H32O9/c1-2-4-16(20)25-13-11-23-9-7-22-8-10-24-12-14-26-17(21)6-3-5-15(18)19/h16,20H,2-14H2,1H3,(H,18,19)
InChIKeyCYRGZJAFMDVPEF-UHFFFAOYSA-N
XLogP0.97
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid
CID 88544057
6-oxo-6-[2-[2-(1-phenylpentan-2-yloxy)ethoxy]ethoxy]hexanoic acid
CID 23063072
6-(2-ethoxyethoxy)-6-oxohexanoic acid
CID 22169586
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
bis(dibutyl pentanedioate);hexanedioic acid
CID 174889262
4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 118136972
9-[2,2-bis(2-butoxyethoxy)ethoxy]-9-oxononanoic acid
CID 141254740
2-(5,6-dihydroxynonanoyloxy)ethyl 5,6-dihydroxynonanoate
CID 135253417
bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate
CID 122472522
5-decoxy-5-oxopentanoic acid
CID 53431398
2-(2-dodecanoyloxyethoxy)ethyl dodecanoate;(Z)-octadec-9-enoic acid
CID 161339452
5-(5,5-dibutoxypentoxy)-5-oxopentanoic acid
CID 141248438

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid?
The IUPAC name of 5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid (CID 91047897) is 5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid is CCCC(O)OCCOCCOCCOCCOC(=O)CCCC(=O)O.
What is the InChIKey of 5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid?
The InChIKey is CYRGZJAFMDVPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O9/c1-2-4-16(20)25-13-11-23-9-7-22-8-10-24-12-14-26-17(21)6-3-5-15(18)19/h16,20H,2-14H2,1H3,(H,18,19).
What are the key properties of 5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid?
5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid has a molecular weight of 380.43 g/mol, XLogP of 0.97, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid is sourced from PubChem (CID 91047897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).