ethane;methane;propane

C13H42 — CID 159652033

IUPACethane;methane;propane
SMILESC.C.C.C.CC.CC.CC.CCC
InChIInChI=1S/C3H8.3C2H6.4CH4/c1-3-2;3*1-2;;;;/h3H2,1-2H3;3*1-2H3;4*1H4
InChIKeyMRRPYDILSRVGBJ-UHFFFAOYSA-N
MW198.48 g/mol
LogP7.04
Rot. Bonds

About ethane;methane;propane

ethane;methane;propane (PubChem CID 159652033) has the molecular formula C13H42 and a molecular weight of 198.48 g/mol. Its IUPAC name is ethane;methane;propane.

Molecular Properties

Compound Nameethane;methane;propane
PubChem CID159652033
Molecular FormulaC13H42
Molecular Weight198.48 g/mol
Exact Mass198.33
IUPAC Nameethane;methane;propane
SMILESC.C.C.C.CC.CC.CC.CCC
InChIInChI=1S/C3H8.3C2H6.4CH4/c1-3-2;3*1-2;;;;/h3H2,1-2H3;3*1-2H3;4*1H4
InChIKeyMRRPYDILSRVGBJ-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.48
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;propane?
The IUPAC name of ethane;methane;propane (CID 159652033) is ethane;methane;propane.
What is the SMILES notation for ethane;methane;propane?
The canonical SMILES for ethane;methane;propane is C.C.C.C.CC.CC.CC.CCC.
What is the InChIKey of ethane;methane;propane?
The InChIKey is MRRPYDILSRVGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.3C2H6.4CH4/c1-3-2;3*1-2;;;;/h3H2,1-2H3;3*1-2H3;4*1H4.
What are the key properties of ethane;methane;propane?
ethane;methane;propane has a molecular weight of 198.48 g/mol, XLogP of 7.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;propane is sourced from PubChem (CID 159652033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).