(E)-7-ethylsulfanylhept-2-ene

C₉H₁₈S — CID 173027184

About (E)-7-ethylsulfanylhept-2-ene

(E)-7-ethylsulfanylhept-2-ene (PubChem CID 173027184) has the molecular formula C₉H₁₈S and a molecular weight of 158.31 g/mol. Its IUPAC name is (E)-7-ethylsulfanylhept-2-ene.

Molecular Properties

• Compound Name: (E)-7-ethylsulfanylhept-2-ene
• PubChem CID: 173027184
• Molecular Formula: C₉H₁₈S
• Molecular Weight: 158.31 g/mol
• Exact Mass: 158.11
• IUPAC Name: (E)-7-ethylsulfanylhept-2-ene
• SMILES: C/C=C/CCCCSCC
• InChI: InChI=1S/C9H18S/c1-3-5-6-7-8-9-10-4-2/h3,5H,4,6-9H2,1-2H3/b5-3+
• InChIKey: FWSAJSNSORALHP-HWKANZROSA-N
• XLogP: 3.49
• TPSA: 0.00 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	158.31
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-7-ethylsulfanylhept-2-ene?

The IUPAC name of (E)-7-ethylsulfanylhept-2-ene (CID 173027184) is (E)-7-ethylsulfanylhept-2-ene.

What is the SMILES notation for (E)-7-ethylsulfanylhept-2-ene?

The canonical SMILES for (E)-7-ethylsulfanylhept-2-ene is C/C=C/CCCCSCC.

What is the InChIKey of (E)-7-ethylsulfanylhept-2-ene?

The InChIKey is FWSAJSNSORALHP-HWKANZROSA-N. The full InChI is InChI=1S/C9H18S/c1-3-5-6-7-8-9-10-4-2/h3,5H,4,6-9H2,1-2H3/b5-3+.

What are the key properties of (E)-7-ethylsulfanylhept-2-ene?

(E)-7-ethylsulfanylhept-2-ene has a molecular weight of 158.31 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-7-ethylsulfanylhept-2-ene is sourced from PubChem (CID 173027184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 173027184 — identifiers, structure, computed properties (public domain)

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