Oct-7-en-2-yl 4-methylhex-5-enoate

C₁₅H₂₆O₂ — CID 162413116

About Oct-7-en-2-yl 4-methylhex-5-enoate

Oct-7-en-2-yl 4-methylhex-5-enoate (PubChem CID 162413116) has the molecular formula C₁₅H₂₆O₂ and a molecular weight of 238.37 g/mol. Its IUPAC name is oct-7-en-2-yl 4-methylhex-5-enoate.

Molecular Properties

• Compound Name: Oct-7-en-2-yl 4-methylhex-5-enoate
• PubChem CID: 162413116
• Molecular Formula: C₁₅H₂₆O₂
• Molecular Weight: 238.37 g/mol
• Exact Mass: 238.19
• IUPAC Name: oct-7-en-2-yl 4-methylhex-5-enoate
• SMILES: C=CCCCCC(C)OC(=O)CCC(C)C=C
• InChI: InChI=1S/C15H26O2/c1-5-7-8-9-10-14(4)17-15(16)12-11-13(3)6-2/h5-6,13-14H,1-2,7-12H2,3-4H3
• InChIKey: OGYSXMDSZUVDJI-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	238.37
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 Oct-7-en-2-yl 4-methylhex-5-enoate?

The IUPAC name of Oct-7-en-2-yl 4-methylhex-5-enoate (CID 162413116) is oct-7-en-2-yl 4-methylhex-5-enoate.

What is the SMILES notation for Oct-7-en-2-yl 4-methylhex-5-enoate?

The canonical SMILES for Oct-7-en-2-yl 4-methylhex-5-enoate is C=CCCCCC(C)OC(=O)CCC(C)C=C.

What is the InChIKey of Oct-7-en-2-yl 4-methylhex-5-enoate?

The InChIKey is OGYSXMDSZUVDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-7-8-9-10-14(4)17-15(16)12-11-13(3)6-2/h5-6,13-14H,1-2,7-12H2,3-4H3.

What are the key properties of Oct-7-en-2-yl 4-methylhex-5-enoate?

Oct-7-en-2-yl 4-methylhex-5-enoate has a molecular weight of 238.37 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Oct-7-en-2-yl 4-methylhex-5-enoate is sourced from PubChem (CID 162413116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162413116 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.