1-(2-hydroxyethoxy)ethane-1,1-diol

C4H10O4 — CID 173404401

IUPAC1-(2-hydroxyethoxy)ethane-1,1-diol
SMILESCC(O)(O)OCCO
InChIInChI=1S/C4H10O4/c1-4(6,7)8-3-2-5/h5-7H,2-3H2,1H3
InChIKeyJIWRFNVIAOPUES-UHFFFAOYSA-N
MW122.12 g/mol
LogP-1.35
Rot. Bonds3

About 1-(2-hydroxyethoxy)ethane-1,1-diol

1-(2-hydroxyethoxy)ethane-1,1-diol (PubChem CID 173404401) has the molecular formula C4H10O4 and a molecular weight of 122.12 g/mol. Its IUPAC name is 1-(2-hydroxyethoxy)ethane-1,1-diol.

Molecular Properties

Compound Name1-(2-hydroxyethoxy)ethane-1,1-diol
PubChem CID173404401
Molecular FormulaC4H10O4
Molecular Weight122.12 g/mol
Exact Mass122.06
IUPAC Name1-(2-hydroxyethoxy)ethane-1,1-diol
SMILESCC(O)(O)OCCO
InChIInChI=1S/C4H10O4/c1-4(6,7)8-3-2-5/h5-7H,2-3H2,1H3
InChIKeyJIWRFNVIAOPUES-UHFFFAOYSA-N
XLogP-1.35
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxy)ethane-1,1-diol?
The IUPAC name of 1-(2-hydroxyethoxy)ethane-1,1-diol (CID 173404401) is 1-(2-hydroxyethoxy)ethane-1,1-diol.
What is the SMILES notation for 1-(2-hydroxyethoxy)ethane-1,1-diol?
The canonical SMILES for 1-(2-hydroxyethoxy)ethane-1,1-diol is CC(O)(O)OCCO.
What is the InChIKey of 1-(2-hydroxyethoxy)ethane-1,1-diol?
The InChIKey is JIWRFNVIAOPUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4/c1-4(6,7)8-3-2-5/h5-7H,2-3H2,1H3.
What are the key properties of 1-(2-hydroxyethoxy)ethane-1,1-diol?
1-(2-hydroxyethoxy)ethane-1,1-diol has a molecular weight of 122.12 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxy)ethane-1,1-diol is sourced from PubChem (CID 173404401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).