ethane;hydrogen peroxide;methane;hydrate

C7H28O3 — CID 161257433

IUPACethane;hydrogen peroxide;methane;hydrate
SMILESC.C.C.CC.CC.O.OO
InChIInChI=1S/2C2H6.3CH4.H2O2.H2O/c2*1-2;;;;1-2;/h2*1-2H3;3*1H4;1-2H;1H2
InChIKeyODFGQHNILSUZBC-UHFFFAOYSA-N
MW160.30 g/mol
LogP3.15
Rot. Bonds

About ethane;hydrogen peroxide;methane;hydrate

ethane;hydrogen peroxide;methane;hydrate (PubChem CID 161257433) has the molecular formula C7H28O3 and a molecular weight of 160.30 g/mol. Its IUPAC name is ethane;hydrogen peroxide;methane;hydrate.

Molecular Properties

Compound Nameethane;hydrogen peroxide;methane;hydrate
PubChem CID161257433
Molecular FormulaC7H28O3
Molecular Weight160.30 g/mol
Exact Mass160.20
IUPAC Nameethane;hydrogen peroxide;methane;hydrate
SMILESC.C.C.CC.CC.O.OO
InChIInChI=1S/2C2H6.3CH4.H2O2.H2O/c2*1-2;;;;1-2;/h2*1-2H3;3*1H4;1-2H;1H2
InChIKeyODFGQHNILSUZBC-UHFFFAOYSA-N
XLogP3.15
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;hydrogen peroxide;methane;hydrate?
The IUPAC name of ethane;hydrogen peroxide;methane;hydrate (CID 161257433) is ethane;hydrogen peroxide;methane;hydrate.
What is the SMILES notation for ethane;hydrogen peroxide;methane;hydrate?
The canonical SMILES for ethane;hydrogen peroxide;methane;hydrate is C.C.C.CC.CC.O.OO.
What is the InChIKey of ethane;hydrogen peroxide;methane;hydrate?
The InChIKey is ODFGQHNILSUZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6.3CH4.H2O2.H2O/c2*1-2;;;;1-2;/h2*1-2H3;3*1H4;1-2H;1H2.
What are the key properties of ethane;hydrogen peroxide;methane;hydrate?
ethane;hydrogen peroxide;methane;hydrate has a molecular weight of 160.30 g/mol, XLogP of 3.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hydrogen peroxide;methane;hydrate is sourced from PubChem (CID 161257433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).