carbon monoxide;methane;methanol;methyl formate;molecular hydrogen;hydrate

C8H28O8 — CID 159790264

IUPACcarbon monoxide;methane;methanol;methyl formate;molecular hydrogen;hydrate
SMILESC.CO.CO.COC=O.COC=O.O.[C-]#[O+].[H][H].[H][H].[H][H]
InChIInChI=1S/2C2H4O2.2CH4O.CO.CH4.H2O.3H2/c2*1-4-2-3;3*1-2;;;;;/h2*2H,1H3;2*2H,1H3;;1H4;1H2;3*1H
InChIKeyXUGHMTYGRUDFCB-UHFFFAOYSA-N
MW252.30 g/mol
LogP-0.69
Rot. Bonds2

About carbon monoxide;methane;methanol;methyl formate;molecular hydrogen;hydrate

carbon monoxide;methane;methanol;methyl formate;molecular hydrogen;hydrate (PubChem CID 159790264) has the molecular formula C8H28O8 and a molecular weight of 252.30 g/mol. Its IUPAC name is carbon monoxide;methane;methanol;methyl formate;molecular hydrogen;hydrate.

Molecular Properties

Compound Namecarbon monoxide;methane;methanol;methyl formate;molecular hydrogen;hydrate
PubChem CID159790264
Molecular FormulaC8H28O8
Molecular Weight252.30 g/mol
Exact Mass252.18
IUPAC Namecarbon monoxide;methane;methanol;methyl formate;molecular hydrogen;hydrate
SMILESC.CO.CO.COC=O.COC=O.O.[C-]#[O+].[H][H].[H][H].[H][H]
InChIInChI=1S/2C2H4O2.2CH4O.CO.CH4.H2O.3H2/c2*1-4-2-3;3*1-2;;;;;/h2*2H,1H3;2*2H,1H3;;1H4;1H2;3*1H
InChIKeyXUGHMTYGRUDFCB-UHFFFAOYSA-N
XLogP-0.69
TPSA144.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;methane;methanol;methyl formate;molecular hydrogen;hydrate?
The IUPAC name of carbon monoxide;methane;methanol;methyl formate;molecular hydrogen;hydrate (CID 159790264) is carbon monoxide;methane;methanol;methyl formate;molecular hydrogen;hydrate.
What is the SMILES notation for carbon monoxide;methane;methanol;methyl formate;molecular hydrogen;hydrate?
The canonical SMILES for carbon monoxide;methane;methanol;methyl formate;molecular hydrogen;hydrate is C.CO.CO.COC=O.COC=O.O.[C-]#[O+].[H][H].[H][H].[H][H].
What is the InChIKey of carbon monoxide;methane;methanol;methyl formate;molecular hydrogen;hydrate?
The InChIKey is XUGHMTYGRUDFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4O2.2CH4O.CO.CH4.H2O.3H2/c2*1-4-2-3;3*1-2;;;;;/h2*2H,1H3;2*2H,1H3;;1H4;1H2;3*1H.
What are the key properties of carbon monoxide;methane;methanol;methyl formate;molecular hydrogen;hydrate?
carbon monoxide;methane;methanol;methyl formate;molecular hydrogen;hydrate has a molecular weight of 252.30 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;methane;methanol;methyl formate;molecular hydrogen;hydrate is sourced from PubChem (CID 159790264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).