2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol

C15H32O12 — CID 87459170

IUPAC2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol
SMILESCCCOCCOCCO.O=C(O)C(O)C(O)C(=O)O.OCCOCCO
InChIInChI=1S/C7H16O3.C4H6O6.C4H10O3/c1-2-4-9-6-7-10-5-3-8;5-1(3(7)8)2(6)4(9)10;5-1-3-7-4-2-6/h8H,2-7H2,1H3;1-2,5-6H,(H,7,8)(H,9,10);5-6H,1-4H2
InChIKeyWIISJPJUTYGKGH-UHFFFAOYSA-N
MW404.41 g/mol
LogP-2.71
Rot. Bonds14

About 2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol

2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol (PubChem CID 87459170) has the molecular formula C15H32O12 and a molecular weight of 404.41 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol
PubChem CID87459170
Molecular FormulaC15H32O12
Molecular Weight404.41 g/mol
Exact Mass404.19
IUPAC Name2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol
SMILESCCCOCCOCCO.O=C(O)C(O)C(O)C(=O)O.OCCOCCO
InChIInChI=1S/C7H16O3.C4H6O6.C4H10O3/c1-2-4-9-6-7-10-5-3-8;5-1(3(7)8)2(6)4(9)10;5-1-3-7-4-2-6/h8H,2-7H2,1H3;1-2,5-6H,(H,7,8)(H,9,10);5-6H,1-4H2
InChIKeyWIISJPJUTYGKGH-UHFFFAOYSA-N
XLogP-2.71
TPSA203.44 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.41
LogP ≤ 5-2.71
H-Bond Donors ≤ 57
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-(2-hydroxyethoxy)ethoxy]ethanol;propanoic acid;1-propoxypropane
CID 87832524
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane
CID 161348551
bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921
2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane
CID 87238314
2-hydroxypropanoic acid;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 86606251
acetic acid;ethane-1,2-diol;1-propoxypropane
CID 87173369
calcium;hydride;2-propoxyethanol
CID 174734380
butan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 162268367
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol?
The IUPAC name of 2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol (CID 87459170) is 2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol is CCCOCCOCCO.O=C(O)C(O)C(O)C(=O)O.OCCOCCO.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol?
The InChIKey is WIISJPJUTYGKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3.C4H6O6.C4H10O3/c1-2-4-9-6-7-10-5-3-8;5-1(3(7)8)2(6)4(9)10;5-1-3-7-4-2-6/h8H,2-7H2,1H3;1-2,5-6H,(H,7,8)(H,9,10);5-6H,1-4H2.
What are the key properties of 2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol?
2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol has a molecular weight of 404.41 g/mol, XLogP of -2.71, 14 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol is sourced from PubChem (CID 87459170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).