methanol;methoxymethanediol

C3H10O4 — CID 162244729

IUPACmethanol;methoxymethanediol
SMILESCO.COC(O)O
InChIInChI=1S/C2H6O3.CH4O/c1-5-2(3)4;1-2/h2-4H,1H3;2H,1H3
InChIKeyZXEHLAXOTPOMAA-UHFFFAOYSA-N
MW110.11 g/mol
LogP-1.49
Rot. Bonds1

About methanol;methoxymethanediol

methanol;methoxymethanediol (PubChem CID 162244729) has the molecular formula C3H10O4 and a molecular weight of 110.11 g/mol. Its IUPAC name is methanol;methoxymethanediol.

Molecular Properties

Compound Namemethanol;methoxymethanediol
PubChem CID162244729
Molecular FormulaC3H10O4
Molecular Weight110.11 g/mol
Exact Mass110.06
IUPAC Namemethanol;methoxymethanediol
SMILESCO.COC(O)O
InChIInChI=1S/C2H6O3.CH4O/c1-5-2(3)4;1-2/h2-4H,1H3;2H,1H3
InChIKeyZXEHLAXOTPOMAA-UHFFFAOYSA-N
XLogP-1.49
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.11
LogP ≤ 5-1.49
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 methanol;methoxymethanediol?
The IUPAC name of methanol;methoxymethanediol (CID 162244729) is methanol;methoxymethanediol.
What is the SMILES notation for methanol;methoxymethanediol?
The canonical SMILES for methanol;methoxymethanediol is CO.COC(O)O.
What is the InChIKey of methanol;methoxymethanediol?
The InChIKey is ZXEHLAXOTPOMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3.CH4O/c1-5-2(3)4;1-2/h2-4H,1H3;2H,1H3.
What are the key properties of methanol;methoxymethanediol?
methanol;methoxymethanediol has a molecular weight of 110.11 g/mol, XLogP of -1.49, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methoxymethanediol is sourced from PubChem (CID 162244729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).