methane;methoxymethane;propane

C16H50O — CID 158421244

IUPACmethane;methoxymethane;propane
SMILESC.C.C.C.C.CCC.CCC.CCC.COC
InChIInChI=1S/3C3H8.C2H6O.5CH4/c4*1-3-2;;;;;/h3*3H2,1-2H3;1-2H3;5*1H4
InChIKeyHANAWGRKGOYFOZ-UHFFFAOYSA-N
MW258.57 g/mol
LogP7.69
Rot. Bonds

About methane;methoxymethane;propane

methane;methoxymethane;propane (PubChem CID 158421244) has the molecular formula C16H50O and a molecular weight of 258.57 g/mol. Its IUPAC name is methane;methoxymethane;propane.

Molecular Properties

Compound Namemethane;methoxymethane;propane
PubChem CID158421244
Molecular FormulaC16H50O
Molecular Weight258.57 g/mol
Exact Mass258.39
IUPAC Namemethane;methoxymethane;propane
SMILESC.C.C.C.C.CCC.CCC.CCC.COC
InChIInChI=1S/3C3H8.C2H6O.5CH4/c4*1-3-2;;;;;/h3*3H2,1-2H3;1-2H3;5*1H4
InChIKeyHANAWGRKGOYFOZ-UHFFFAOYSA-N
XLogP7.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.57
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methane;methoxymethane;propane?
The IUPAC name of methane;methoxymethane;propane (CID 158421244) is methane;methoxymethane;propane.
What is the SMILES notation for methane;methoxymethane;propane?
The canonical SMILES for methane;methoxymethane;propane is C.C.C.C.C.CCC.CCC.CCC.COC.
What is the InChIKey of methane;methoxymethane;propane?
The InChIKey is HANAWGRKGOYFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H8.C2H6O.5CH4/c4*1-3-2;;;;;/h3*3H2,1-2H3;1-2H3;5*1H4.
What are the key properties of methane;methoxymethane;propane?
methane;methoxymethane;propane has a molecular weight of 258.57 g/mol, XLogP of 7.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methoxymethane;propane is sourced from PubChem (CID 158421244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).