2-hydroxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]pentanedioic acid

C14H24O11 — CID 162495800

IUPAC2-hydroxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]pentanedioic acid
SMILESO=C(O)CCC(O)(C(=O)O)C(=O)OCCOCCOCCOCCO
InChIInChI=1S/C14H24O11/c15-3-4-22-5-6-23-7-8-24-9-10-25-13(20)14(21,12(18)19)2-1-11(16)17/h15,21H,1-10H2,(H,16,17)(H,18,19)
InChIKeyBFNNZZMACPURNX-UHFFFAOYSA-N
MW368.34 g/mol
LogP-1.75
Rot. Bonds16

About 2-hydroxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]pentanedioic acid

2-hydroxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]pentanedioic acid (PubChem CID 162495800) has the molecular formula C14H24O11 and a molecular weight of 368.34 g/mol. Its IUPAC name is 2-hydroxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]pentanedioic acid.

Molecular Properties

Compound Name2-hydroxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]pentanedioic acid
PubChem CID162495800
Molecular FormulaC14H24O11
Molecular Weight368.34 g/mol
Exact Mass368.13
IUPAC Name2-hydroxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]pentanedioic acid
SMILESO=C(O)CCC(O)(C(=O)O)C(=O)OCCOCCOCCOCCO
InChIInChI=1S/C14H24O11/c15-3-4-22-5-6-23-7-8-24-9-10-25-13(20)14(21,12(18)19)2-1-11(16)17/h15,21H,1-10H2,(H,16,17)(H,18,19)
InChIKeyBFNNZZMACPURNX-UHFFFAOYSA-N
XLogP-1.75
TPSA169.05 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

2-hydroxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]-2-oxoethyl]butanedioic acid
CID 87530367
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
bis(hexanedioic acid);2-(2-hydroxyethoxy)ethanol
CID 159827287
CID 172913435
CID 172913435
2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate
CID 18552285
3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid
CID 88878514
4-[2-(2-hydroxyethoxy)ethoxy]-4-oxo-3,3-disulfobutanoic acid
CID 88719259
2-acetyl-2-hydroxypentanedioic acid
CID 88870171
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate
CID 126492957
2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
CID 89246504
2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate
CID 141407378

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]pentanedioic acid?
The IUPAC name of 2-hydroxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]pentanedioic acid (CID 162495800) is 2-hydroxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]pentanedioic acid.
What is the SMILES notation for 2-hydroxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]pentanedioic acid?
The canonical SMILES for 2-hydroxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]pentanedioic acid is O=C(O)CCC(O)(C(=O)O)C(=O)OCCOCCOCCOCCO.
What is the InChIKey of 2-hydroxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]pentanedioic acid?
The InChIKey is BFNNZZMACPURNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O11/c15-3-4-22-5-6-23-7-8-24-9-10-25-13(20)14(21,12(18)19)2-1-11(16)17/h15,21H,1-10H2,(H,16,17)(H,18,19).
What are the key properties of 2-hydroxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]pentanedioic acid?
2-hydroxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]pentanedioic acid has a molecular weight of 368.34 g/mol, XLogP of -1.75, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]pentanedioic acid is sourced from PubChem (CID 162495800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).