2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate

C5H11O4- — CID 59229184

IUPAC2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate
SMILES[O-]CC(O)COCCO
InChIInChI=1S/C5H11O4/c6-1-2-9-4-5(8)3-7/h5-6,8H,1-4H2/q-1
InChIKeyYHPLWNZBFKOCHH-UHFFFAOYSA-N
MW135.14 g/mol
LogP-2.28
Rot. Bonds5

About 2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate

2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate (PubChem CID 59229184) has the molecular formula C5H11O4- and a molecular weight of 135.14 g/mol. Its IUPAC name is 2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate.

Molecular Properties

Compound Name2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate
PubChem CID59229184
Molecular FormulaC5H11O4-
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate
SMILES[O-]CC(O)COCCO
InChIInChI=1S/C5H11O4/c6-1-2-9-4-5(8)3-7/h5-6,8H,1-4H2/q-1
InChIKeyYHPLWNZBFKOCHH-UHFFFAOYSA-N
XLogP-2.28
TPSA72.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol
CID 142397445
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-methoxypropan-2-ol
CID 88655335
tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
CID 177274089
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
4-amino-1-(2-hydroxyethoxy)pentan-2-ol
CID 158045647
5-amino-1-(2-hydroxyethoxy)pentan-2-ol
CID 21493098
bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium)
CID 177273686
1-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylhexan-2-ol
CID 140523651
1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
CID 165348602
sodium 2-(2-hydroxyethoxy)ethanolate
CID 23668373
1-(2-hydroxyethoxy)butan-2-ol;phosphoric acid
CID 175300111
1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride
CID 173050700

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate?
The IUPAC name of 2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate (CID 59229184) is 2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate.
What is the SMILES notation for 2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate?
The canonical SMILES for 2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate is [O-]CC(O)COCCO.
What is the InChIKey of 2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate?
The InChIKey is YHPLWNZBFKOCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4/c6-1-2-9-4-5(8)3-7/h5-6,8H,1-4H2/q-1.
What are the key properties of 2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate?
2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate has a molecular weight of 135.14 g/mol, XLogP of -2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate is sourced from PubChem (CID 59229184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).