ethane;methane;tridecane

C23H66 — CID 159295261

IUPACethane;methane;tridecane
SMILESC.C.C.C.C.C.C.C.CC.CCCCCCCCCCCCC
InChIInChI=1S/C13H28.C2H6.8CH4/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-2;;;;;;;;/h3-13H2,1-2H3;1-2H3;8*1H4
InChIKeyLAQCPWNIXWYBBX-UHFFFAOYSA-N
MW342.78 g/mol
LogP11.43
Rot. Bonds10

About ethane;methane;tridecane

ethane;methane;tridecane (PubChem CID 159295261) has the molecular formula C23H66 and a molecular weight of 342.78 g/mol. Its IUPAC name is ethane;methane;tridecane.

Molecular Properties

Compound Nameethane;methane;tridecane
PubChem CID159295261
Molecular FormulaC23H66
Molecular Weight342.78 g/mol
Exact Mass342.52
IUPAC Nameethane;methane;tridecane
SMILESC.C.C.C.C.C.C.C.CC.CCCCCCCCCCCCC
InChIInChI=1S/C13H28.C2H6.8CH4/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-2;;;;;;;;/h3-13H2,1-2H3;1-2H3;8*1H4
InChIKeyLAQCPWNIXWYBBX-UHFFFAOYSA-N
XLogP11.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.78
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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methane;octane;dihydrochloride
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azane;methane;undecane
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Frequently Asked Questions

What is the IUPAC name of ethane;methane;tridecane?
The IUPAC name of ethane;methane;tridecane (CID 159295261) is ethane;methane;tridecane.
What is the SMILES notation for ethane;methane;tridecane?
The canonical SMILES for ethane;methane;tridecane is C.C.C.C.C.C.C.C.CC.CCCCCCCCCCCCC.
What is the InChIKey of ethane;methane;tridecane?
The InChIKey is LAQCPWNIXWYBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28.C2H6.8CH4/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-2;;;;;;;;/h3-13H2,1-2H3;1-2H3;8*1H4.
What are the key properties of ethane;methane;tridecane?
ethane;methane;tridecane has a molecular weight of 342.78 g/mol, XLogP of 11.43, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;tridecane is sourced from PubChem (CID 159295261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).