2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

C10H20O9 — CID 174790415

IUPAC2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESO=C(O)CC(O)C(=O)O.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C4H6O5/c7-1-3-9-5-6-10-4-2-8;5-2(4(8)9)1-3(6)7/h7-8H,1-6H2;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyVUIMOSZMNLIPNU-UHFFFAOYSA-N
MW284.26 g/mol
LogP-2.09
Rot. Bonds10

About 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (PubChem CID 174790415) has the molecular formula C10H20O9 and a molecular weight of 284.26 g/mol. Its IUPAC name is 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
PubChem CID174790415
Molecular FormulaC10H20O9
Molecular Weight284.26 g/mol
Exact Mass284.11
IUPAC Name2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESO=C(O)CC(O)C(=O)O.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C4H6O5/c7-1-3-9-5-6-10-4-2-8;5-2(4(8)9)1-3(6)7/h7-8H,1-6H2;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyVUIMOSZMNLIPNU-UHFFFAOYSA-N
XLogP-2.09
TPSA153.75 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 5-2.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol
CID 87459914
sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide
CID 173385796
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
cobalt;2-hydroxybutanedioic acid
CID 87544145
2-hydroxybutanedioic acid;iron
CID 174146167
2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 87085707
2-hydroxybutanedioic acid;hydrate;hydrochloride
CID 172717640
azane;bismuthane;2-hydroxybutanedioic acid
CID 173447177
2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol
CID 23460146
bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid
CID 173189047
boric acid;bis(2-hydroxybutanedioic acid)
CID 175869930
2-hydroxypropanoic acid;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 86606251

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The IUPAC name of 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (CID 174790415) is 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.
What is the SMILES notation for 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The canonical SMILES for 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is O=C(O)CC(O)C(=O)O.OCCOCCOCCO.
What is the InChIKey of 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The InChIKey is VUIMOSZMNLIPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.C4H6O5/c7-1-3-9-5-6-10-4-2-8;5-2(4(8)9)1-3(6)7/h7-8H,1-6H2;2,5H,1H2,(H,6,7)(H,8,9).
What are the key properties of 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol has a molecular weight of 284.26 g/mol, XLogP of -2.09, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 174790415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).