bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate

C12H22O10 — CID 175191375

IUPACbis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate
SMILESO=C(OCCOCCO)C(O)C(O)C(=O)OCCOCCO
InChIInChI=1S/C12H22O10/c13-1-3-19-5-7-21-11(17)9(15)10(16)12(18)22-8-6-20-4-2-14/h9-10,13-16H,1-8H2
InChIKeyVIAKDDMQHKSROK-UHFFFAOYSA-N
MW326.30 g/mol
LogP-3.19
Rot. Bonds13

About bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate

bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate (PubChem CID 175191375) has the molecular formula C12H22O10 and a molecular weight of 326.30 g/mol. Its IUPAC name is bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namebis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate
PubChem CID175191375
Molecular FormulaC12H22O10
Molecular Weight326.30 g/mol
Exact Mass326.12
IUPAC Namebis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate
SMILESO=C(OCCOCCO)C(O)C(O)C(=O)OCCOCCO
InChIInChI=1S/C12H22O10/c13-1-3-19-5-7-21-11(17)9(15)10(16)12(18)22-8-6-20-4-2-14/h9-10,13-16H,1-8H2
InChIKeyVIAKDDMQHKSROK-UHFFFAOYSA-N
XLogP-3.19
TPSA151.98 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 5-3.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate
CID 156687732
2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate
CID 131864159
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 58473820
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
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-hydroxyethoxy)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]ethanol
CID 14619703
bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
CID 87256441
potassium;hydride;1-O-(2-hydroxyethyl) 4-O-stibanyl 2,3-dihydroxybutanedioate
CID 174945582
2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol
CID 87519110
2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol
CID 87459170

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate?
The IUPAC name of bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate (CID 175191375) is bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate.
What is the SMILES notation for bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate?
The canonical SMILES for bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate is O=C(OCCOCCO)C(O)C(O)C(=O)OCCOCCO.
What is the InChIKey of bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate?
The InChIKey is VIAKDDMQHKSROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O10/c13-1-3-19-5-7-21-11(17)9(15)10(16)12(18)22-8-6-20-4-2-14/h9-10,13-16H,1-8H2.
What are the key properties of bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate?
bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate has a molecular weight of 326.30 g/mol, XLogP of -3.19, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate is sourced from PubChem (CID 175191375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).