1-(dihydroxymethoxy)ethane-1,1-diol

C3H8O5 — CID 91359884

IUPAC1-(dihydroxymethoxy)ethane-1,1-diol
SMILESCC(O)(O)OC(O)O
InChIInChI=1S/C3H8O5/c1-3(6,7)8-2(4)5/h2,4-7H,1H3
InChIKeyAVZFLWOYZKUZGH-UHFFFAOYSA-N
MW124.09 g/mol
LogP-2.07
Rot. Bonds2

About 1-(dihydroxymethoxy)ethane-1,1-diol

1-(dihydroxymethoxy)ethane-1,1-diol (PubChem CID 91359884) has the molecular formula C3H8O5 and a molecular weight of 124.09 g/mol. Its IUPAC name is 1-(dihydroxymethoxy)ethane-1,1-diol.

Molecular Properties

Compound Name1-(dihydroxymethoxy)ethane-1,1-diol
PubChem CID91359884
Molecular FormulaC3H8O5
Molecular Weight124.09 g/mol
Exact Mass124.04
IUPAC Name1-(dihydroxymethoxy)ethane-1,1-diol
SMILESCC(O)(O)OC(O)O
InChIInChI=1S/C3H8O5/c1-3(6,7)8-2(4)5/h2,4-7H,1H3
InChIKeyAVZFLWOYZKUZGH-UHFFFAOYSA-N
XLogP-2.07
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 5-2.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-(dihydroxymethoxy)ethane-1,1-diol?
The IUPAC name of 1-(dihydroxymethoxy)ethane-1,1-diol (CID 91359884) is 1-(dihydroxymethoxy)ethane-1,1-diol.
What is the SMILES notation for 1-(dihydroxymethoxy)ethane-1,1-diol?
The canonical SMILES for 1-(dihydroxymethoxy)ethane-1,1-diol is CC(O)(O)OC(O)O.
What is the InChIKey of 1-(dihydroxymethoxy)ethane-1,1-diol?
The InChIKey is AVZFLWOYZKUZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O5/c1-3(6,7)8-2(4)5/h2,4-7H,1H3.
What are the key properties of 1-(dihydroxymethoxy)ethane-1,1-diol?
1-(dihydroxymethoxy)ethane-1,1-diol has a molecular weight of 124.09 g/mol, XLogP of -2.07, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dihydroxymethoxy)ethane-1,1-diol is sourced from PubChem (CID 91359884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).