methane;molecular hydrogen;dihydrate

C3H24O2 — CID 160608799

IUPACmethane;molecular hydrogen;dihydrate
SMILESC.C.C.O.O.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/3CH4.2H2O.4H2/h3*1H4;2*1H2;4*1H
InChIKeyFPKACSWVSRYZEG-UHFFFAOYSA-N
MW92.22 g/mol
LogP1.24
Rot. Bonds

About methane;molecular hydrogen;dihydrate

methane;molecular hydrogen;dihydrate (PubChem CID 160608799) has the molecular formula C3H24O2 and a molecular weight of 92.22 g/mol. Its IUPAC name is methane;molecular hydrogen;dihydrate.

Molecular Properties

Compound Namemethane;molecular hydrogen;dihydrate
PubChem CID160608799
Molecular FormulaC3H24O2
Molecular Weight92.22 g/mol
Exact Mass92.18
IUPAC Namemethane;molecular hydrogen;dihydrate
SMILESC.C.C.O.O.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/3CH4.2H2O.4H2/h3*1H4;2*1H2;4*1H
InChIKeyFPKACSWVSRYZEG-UHFFFAOYSA-N
XLogP1.24
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.22
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methane;molecular hydrogen;dihydrate?
The IUPAC name of methane;molecular hydrogen;dihydrate (CID 160608799) is methane;molecular hydrogen;dihydrate.
What is the SMILES notation for methane;molecular hydrogen;dihydrate?
The canonical SMILES for methane;molecular hydrogen;dihydrate is C.C.C.O.O.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of methane;molecular hydrogen;dihydrate?
The InChIKey is FPKACSWVSRYZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH4.2H2O.4H2/h3*1H4;2*1H2;4*1H.
What are the key properties of methane;molecular hydrogen;dihydrate?
methane;molecular hydrogen;dihydrate has a molecular weight of 92.22 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;molecular hydrogen;dihydrate is sourced from PubChem (CID 160608799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).