dihydroxymethoxymethoxymethanediol

C3H8O6 — CID 123857902

IUPACdihydroxymethoxymethoxymethanediol
SMILESOC(O)OCOC(O)O
InChIInChI=1S/C3H8O6/c4-2(5)8-1-9-3(6)7/h2-7H,1H2
InChIKeyXNOUWRSJDZSSNZ-UHFFFAOYSA-N
MW140.09 g/mol
LogP-2.49
Rot. Bonds4

About dihydroxymethoxymethoxymethanediol

dihydroxymethoxymethoxymethanediol (PubChem CID 123857902) has the molecular formula C3H8O6 and a molecular weight of 140.09 g/mol. Its IUPAC name is dihydroxymethoxymethoxymethanediol.

Molecular Properties

Compound Namedihydroxymethoxymethoxymethanediol
PubChem CID123857902
Molecular FormulaC3H8O6
Molecular Weight140.09 g/mol
Exact Mass140.03
IUPAC Namedihydroxymethoxymethoxymethanediol
SMILESOC(O)OCOC(O)O
InChIInChI=1S/C3H8O6/c4-2(5)8-1-9-3(6)7/h2-7H,1H2
InChIKeyXNOUWRSJDZSSNZ-UHFFFAOYSA-N
XLogP-2.49
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.09
LogP ≤ 5-2.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 dihydroxymethoxymethoxymethanediol?
The IUPAC name of dihydroxymethoxymethoxymethanediol (CID 123857902) is dihydroxymethoxymethoxymethanediol.
What is the SMILES notation for dihydroxymethoxymethoxymethanediol?
The canonical SMILES for dihydroxymethoxymethoxymethanediol is OC(O)OCOC(O)O.
What is the InChIKey of dihydroxymethoxymethoxymethanediol?
The InChIKey is XNOUWRSJDZSSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O6/c4-2(5)8-1-9-3(6)7/h2-7H,1H2.
What are the key properties of dihydroxymethoxymethoxymethanediol?
dihydroxymethoxymethoxymethanediol has a molecular weight of 140.09 g/mol, XLogP of -2.49, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxymethoxymethoxymethanediol is sourced from PubChem (CID 123857902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).