5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene

C₁₃H₁₆O — CID 71399943

About 5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene

5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 71399943) has the molecular formula C₁₃H₁₆O and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

• Compound Name: 5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene
• PubChem CID: 71399943
• Molecular Formula: C₁₃H₁₆O
• Molecular Weight: 188.27 g/mol
• Exact Mass: 188.12
• IUPAC Name: 5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene
• SMILES: C=CCOC1C=CC2C3C=CC(C3)C12
• InChI: InChI=1S/C13H16O/c1-2-7-14-12-6-5-11-9-3-4-10(8-9)13(11)12/h2-6,9-13H,1,7-8H2
• InChIKey: HTFMAAFHWMBLBV-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	188.27
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene?

The IUPAC name of 5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene (CID 71399943) is 5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene.

What is the SMILES notation for 5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene?

The canonical SMILES for 5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene is C=CCOC1C=CC2C3C=CC(C3)C12.

What is the InChIKey of 5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene?

The InChIKey is HTFMAAFHWMBLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-2-7-14-12-6-5-11-9-3-4-10(8-9)13(11)12/h2-6,9-13H,1,7-8H2.

What are the key properties of 5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene?

5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 188.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 71399943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71399943 — identifiers, structure, computed properties (public domain)

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