carbon dioxide;methanol;hydrate

C2H6O4 — CID 86755393

IUPACcarbon dioxide;methanol;hydrate
SMILESCO.O.O=C=O
InChIInChI=1S/CO2.CH4O.H2O/c2-1-3;1-2;/h;2H,1H3;1H2
InChIKeySXHAJGMSYHIIGX-UHFFFAOYSA-N
MW94.07 g/mol
LogP-1.80
Rot. Bonds

About carbon dioxide;methanol;hydrate

carbon dioxide;methanol;hydrate (PubChem CID 86755393) has the molecular formula C2H6O4 and a molecular weight of 94.07 g/mol. Its IUPAC name is carbon dioxide;methanol;hydrate.

Molecular Properties

Compound Namecarbon dioxide;methanol;hydrate
PubChem CID86755393
Molecular FormulaC2H6O4
Molecular Weight94.07 g/mol
Exact Mass94.03
IUPAC Namecarbon dioxide;methanol;hydrate
SMILESCO.O.O=C=O
InChIInChI=1S/CO2.CH4O.H2O/c2-1-3;1-2;/h;2H,1H3;1H2
InChIKeySXHAJGMSYHIIGX-UHFFFAOYSA-N
XLogP-1.80
TPSA85.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.07
LogP ≤ 5-1.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;methanol;hydrate?
The IUPAC name of carbon dioxide;methanol;hydrate (CID 86755393) is carbon dioxide;methanol;hydrate.
What is the SMILES notation for carbon dioxide;methanol;hydrate?
The canonical SMILES for carbon dioxide;methanol;hydrate is CO.O.O=C=O.
What is the InChIKey of carbon dioxide;methanol;hydrate?
The InChIKey is SXHAJGMSYHIIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/CO2.CH4O.H2O/c2-1-3;1-2;/h;2H,1H3;1H2.
What are the key properties of carbon dioxide;methanol;hydrate?
carbon dioxide;methanol;hydrate has a molecular weight of 94.07 g/mol, XLogP of -1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;methanol;hydrate is sourced from PubChem (CID 86755393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).