carbon monoxide;formic acid;methane;methanol;methyl formate;dihydrate

C10H28O13 — CID 159663857

IUPACcarbon monoxide;formic acid;methane;methanol;methyl formate;dihydrate
SMILESC.CO.CO.COC=O.COC=O.O.O.O=CO.O=CO.[C-]#[O+]
InChIInChI=1S/2C2H4O2.2CH2O2.2CH4O.CO.CH4.2H2O/c2*1-4-2-3;2*2-1-3;3*1-2;;;/h2*2H,1H3;2*1H,(H,2,3);2*2H,1H3;;1H4;2*1H2
InChIKeyQTFVTXSLRCTING-UHFFFAOYSA-N
MW356.32 g/mol
LogP-2.85
Rot. Bonds2

About carbon monoxide;formic acid;methane;methanol;methyl formate;dihydrate

carbon monoxide;formic acid;methane;methanol;methyl formate;dihydrate (PubChem CID 159663857) has the molecular formula C10H28O13 and a molecular weight of 356.32 g/mol. Its IUPAC name is carbon monoxide;formic acid;methane;methanol;methyl formate;dihydrate.

Molecular Properties

Compound Namecarbon monoxide;formic acid;methane;methanol;methyl formate;dihydrate
PubChem CID159663857
Molecular FormulaC10H28O13
Molecular Weight356.32 g/mol
Exact Mass356.15
IUPAC Namecarbon monoxide;formic acid;methane;methanol;methyl formate;dihydrate
SMILESC.CO.CO.COC=O.COC=O.O.O.O=CO.O=CO.[C-]#[O+]
InChIInChI=1S/2C2H4O2.2CH2O2.2CH4O.CO.CH4.2H2O/c2*1-4-2-3;2*2-1-3;3*1-2;;;/h2*2H,1H3;2*1H,(H,2,3);2*2H,1H3;;1H4;2*1H2
InChIKeyQTFVTXSLRCTING-UHFFFAOYSA-N
XLogP-2.85
TPSA250.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 5-2.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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;formic acid;methane;methanol;methyl formate;dihydrate?
The IUPAC name of carbon monoxide;formic acid;methane;methanol;methyl formate;dihydrate (CID 159663857) is carbon monoxide;formic acid;methane;methanol;methyl formate;dihydrate.
What is the SMILES notation for carbon monoxide;formic acid;methane;methanol;methyl formate;dihydrate?
The canonical SMILES for carbon monoxide;formic acid;methane;methanol;methyl formate;dihydrate is C.CO.CO.COC=O.COC=O.O.O.O=CO.O=CO.[C-]#[O+].
What is the InChIKey of carbon monoxide;formic acid;methane;methanol;methyl formate;dihydrate?
The InChIKey is QTFVTXSLRCTING-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4O2.2CH2O2.2CH4O.CO.CH4.2H2O/c2*1-4-2-3;2*2-1-3;3*1-2;;;/h2*2H,1H3;2*1H,(H,2,3);2*2H,1H3;;1H4;2*1H2.
What are the key properties of carbon monoxide;formic acid;methane;methanol;methyl formate;dihydrate?
carbon monoxide;formic acid;methane;methanol;methyl formate;dihydrate has a molecular weight of 356.32 g/mol, XLogP of -2.85, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;formic acid;methane;methanol;methyl formate;dihydrate is sourced from PubChem (CID 159663857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).