methane;molecular oxygen;dihydrate

C3H16O6 — CID 169423801

IUPACmethane;molecular oxygen;dihydrate
SMILESC.C.C.O.O.O=O.O=O
InChIInChI=1S/3CH4.2O2.2H2O/c;;;2*1-2;;/h3*1H4;;;2*1H2
InChIKeyOTNLXOMELJXRHX-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.39
Rot. Bonds

About methane;molecular oxygen;dihydrate

methane;molecular oxygen;dihydrate (PubChem CID 169423801) has the molecular formula C3H16O6 and a molecular weight of 148.16 g/mol. Its IUPAC name is methane;molecular oxygen;dihydrate.

Molecular Properties

Compound Namemethane;molecular oxygen;dihydrate
PubChem CID169423801
Molecular FormulaC3H16O6
Molecular Weight148.16 g/mol
Exact Mass148.09
IUPAC Namemethane;molecular oxygen;dihydrate
SMILESC.C.C.O.O.O=O.O=O
InChIInChI=1S/3CH4.2O2.2H2O/c;;;2*1-2;;/h3*1H4;;;2*1H2
InChIKeyOTNLXOMELJXRHX-UHFFFAOYSA-N
XLogP0.39
TPSA131.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methane;molecular oxygen;dihydrate?
The IUPAC name of methane;molecular oxygen;dihydrate (CID 169423801) is methane;molecular oxygen;dihydrate.
What is the SMILES notation for methane;molecular oxygen;dihydrate?
The canonical SMILES for methane;molecular oxygen;dihydrate is C.C.C.O.O.O=O.O=O.
What is the InChIKey of methane;molecular oxygen;dihydrate?
The InChIKey is OTNLXOMELJXRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH4.2O2.2H2O/c;;;2*1-2;;/h3*1H4;;;2*1H2.
What are the key properties of methane;molecular oxygen;dihydrate?
methane;molecular oxygen;dihydrate has a molecular weight of 148.16 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;molecular oxygen;dihydrate is sourced from PubChem (CID 169423801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).