Benzene;ethane;methane

C₃₅H₅₈ — CID 159927536

About Benzene;ethane;methane

Benzene;ethane;methane (PubChem CID 159927536) has the molecular formula C₃₅H₅₈ and a molecular weight of 478.85 g/mol. Its IUPAC name is benzene;ethane;methane.

Molecular Properties

• Compound Name: Benzene;ethane;methane
• PubChem CID: 159927536
• Molecular Formula: C₃₅H₅₈
• Molecular Weight: 478.85 g/mol
• Exact Mass: 478.45
• IUPAC Name: benzene;ethane;methane
• SMILES: C.CC.CC.CC.CC.CC.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• InChI: InChI=1S/4C6H6.5C2H6.CH4/c4*1-2-4-6-5-3-1;5*1-2;/h4*1-6H;5*1-2H3;1H4
• InChIKey: NZFFXWNTXCXCIT-UHFFFAOYSA-N
• XLogP: 12.51
• TPSA: 0.00 Ų
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.85
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of Benzene;ethane;methane?

The IUPAC name of Benzene;ethane;methane (CID 159927536) is benzene;ethane;methane.

What is the SMILES notation for Benzene;ethane;methane?

The canonical SMILES for Benzene;ethane;methane is C.CC.CC.CC.CC.CC.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.

What is the InChIKey of Benzene;ethane;methane?

The InChIKey is NZFFXWNTXCXCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H6.5C2H6.CH4/c4*1-2-4-6-5-3-1;5*1-2;/h4*1-6H;5*1-2H3;1H4.

What are the key properties of Benzene;ethane;methane?

Benzene;ethane;methane has a molecular weight of 478.85 g/mol, XLogP of 12.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Benzene;ethane;methane is sourced from PubChem (CID 159927536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159927536 — identifiers, structure, computed properties (public domain)

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