methane;propane

C21H72 — CID 162082112

IUPACmethane;propane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CCC.CCC.CCC
InChIInChI=1S/3C3H8.12CH4/c3*1-3-2;;;;;;;;;;;;/h3*3H2,1-2H3;12*1H4
InChIKeyZCMBBSHIWLLHHN-UHFFFAOYSA-N
MW324.81 g/mol
LogP11.88
Rot. Bonds

About methane;propane

methane;propane (PubChem CID 162082112) has the molecular formula C21H72 and a molecular weight of 324.81 g/mol. Its IUPAC name is methane;propane.

Molecular Properties

Compound Namemethane;propane
PubChem CID162082112
Molecular FormulaC21H72
Molecular Weight324.81 g/mol
Exact Mass324.56
IUPAC Namemethane;propane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CCC.CCC.CCC
InChIInChI=1S/3C3H8.12CH4/c3*1-3-2;;;;;;;;;;;;/h3*3H2,1-2H3;12*1H4
InChIKeyZCMBBSHIWLLHHN-UHFFFAOYSA-N
XLogP11.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.81
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methane;propane?
The IUPAC name of methane;propane (CID 162082112) is methane;propane.
What is the SMILES notation for methane;propane?
The canonical SMILES for methane;propane is C.C.C.C.C.C.C.C.C.C.C.C.CCC.CCC.CCC.
What is the InChIKey of methane;propane?
The InChIKey is ZCMBBSHIWLLHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H8.12CH4/c3*1-3-2;;;;;;;;;;;;/h3*3H2,1-2H3;12*1H4.
What are the key properties of methane;propane?
methane;propane has a molecular weight of 324.81 g/mol, XLogP of 11.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;propane is sourced from PubChem (CID 162082112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).