carbon monoxide;methane;molecular hydrogen;hydrate

C2H14O2 — CID 160816268

IUPACcarbon monoxide;methane;molecular hydrogen;hydrate
SMILESC.O.[C-]#[O+].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/CO.CH4.H2O.4H2/c1-2;;;;;;/h;1H4;1H2;4*1H
InChIKeyHSNVLNJPEXTIHK-UHFFFAOYSA-N
MW70.13 g/mol
LogP0.76
Rot. Bonds

About carbon monoxide;methane;molecular hydrogen;hydrate

carbon monoxide;methane;molecular hydrogen;hydrate (PubChem CID 160816268) has the molecular formula C2H14O2 and a molecular weight of 70.13 g/mol. Its IUPAC name is carbon monoxide;methane;molecular hydrogen;hydrate.

Molecular Properties

Compound Namecarbon monoxide;methane;molecular hydrogen;hydrate
PubChem CID160816268
Molecular FormulaC2H14O2
Molecular Weight70.13 g/mol
Exact Mass70.10
IUPAC Namecarbon monoxide;methane;molecular hydrogen;hydrate
SMILESC.O.[C-]#[O+].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/CO.CH4.H2O.4H2/c1-2;;;;;;/h;1H4;1H2;4*1H
InChIKeyHSNVLNJPEXTIHK-UHFFFAOYSA-N
XLogP0.76
TPSA51.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.13
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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;molecular hydrogen;hydrate?
The IUPAC name of carbon monoxide;methane;molecular hydrogen;hydrate (CID 160816268) is carbon monoxide;methane;molecular hydrogen;hydrate.
What is the SMILES notation for carbon monoxide;methane;molecular hydrogen;hydrate?
The canonical SMILES for carbon monoxide;methane;molecular hydrogen;hydrate is C.O.[C-]#[O+].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of carbon monoxide;methane;molecular hydrogen;hydrate?
The InChIKey is HSNVLNJPEXTIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/CO.CH4.H2O.4H2/c1-2;;;;;;/h;1H4;1H2;4*1H.
What are the key properties of carbon monoxide;methane;molecular hydrogen;hydrate?
carbon monoxide;methane;molecular hydrogen;hydrate has a molecular weight of 70.13 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;methane;molecular hydrogen;hydrate is sourced from PubChem (CID 160816268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).