2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid

C11H20O10 — CID 87565303

IUPAC2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid
SMILESCOC(CC(=O)O)(CC(=O)O)C(=O)O.OCCOCCO
InChIInChI=1S/C7H10O7.C4H10O3/c1-14-7(6(12)13,2-4(8)9)3-5(10)11;5-1-3-7-4-2-6/h2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);5-6H,1-4H2
InChIKeySKEVHNSSKKXYID-UHFFFAOYSA-N
MW312.27 g/mol
LogP-1.61
Rot. Bonds10

About 2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid

2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid (PubChem CID 87565303) has the molecular formula C11H20O10 and a molecular weight of 312.27 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid
PubChem CID87565303
Molecular FormulaC11H20O10
Molecular Weight312.27 g/mol
Exact Mass312.11
IUPAC Name2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid
SMILESCOC(CC(=O)O)(CC(=O)O)C(=O)O.OCCOCCO
InChIInChI=1S/C7H10O7.C4H10O3/c1-14-7(6(12)13,2-4(8)9)3-5(10)11;5-1-3-7-4-2-6/h2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);5-6H,1-4H2
InChIKeySKEVHNSSKKXYID-UHFFFAOYSA-N
XLogP-1.61
TPSA170.82 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 5-1.61
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-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid
CID 57221790
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
2-butoxypropane-1,2,3-tricarboxylic acid;4-(4-hydroxybutoxy)butan-1-ol
CID 87567102
2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride
CID 175224528
2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid
CID 88843175
magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid
CID 173025437
2-hydroxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]-2-oxoethyl]butanedioic acid
CID 87530367
2-[3-(1,2,3-tricarboxypropan-2-yloxy)propoxy]propane-1,2,3-tricarboxylic acid
CID 58640862
4-(2-hydroxyethoxy)-2-methoxycarbonyl-2-methylbutanoic acid
CID 114899523
CID 172913435
CID 172913435
bis(hexanedioic acid);2-(2-hydroxyethoxy)ethanol
CID 159827287
3-ethoxycarbonyl-3-methoxypentanoic acid
CID 118610918

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid (CID 87565303) is 2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid is COC(CC(=O)O)(CC(=O)O)C(=O)O.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid?
The InChIKey is SKEVHNSSKKXYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O7.C4H10O3/c1-14-7(6(12)13,2-4(8)9)3-5(10)11;5-1-3-7-4-2-6/h2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid?
2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid has a molecular weight of 312.27 g/mol, XLogP of -1.61, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 87565303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).