About Isobicyclogermacrene
Isobicyclogermacrene (PubChem CID 16055278) has the molecular formula C15H24
and a molecular weight of 204.35 g/mol. Its IUPAC name is (1R,2Z,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene.
Molecular Properties
| Compound Name | Isobicyclogermacrene |
|---|
| PubChem CID | 16055278 |
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| Molecular Formula | C15H24 |
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| Molecular Weight | 204.35 g/mol |
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| Exact Mass | 204.19 |
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| IUPAC Name | (1R,2Z,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene |
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| SMILES | C/C/1=C\CC/C(=C\[C@@H]2[C@H](C2(C)C)CC1)/C |
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| InChI | InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10-/t13-,14-/m1/s1 |
|---|
| InChIKey | VPDZRSSKICPUEY-ITVLWJPGSA-N |
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| XLogP | 4.10 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 15 |
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| Complexity | 304 |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 204.35 |
| LogP ≤ 5 | 4.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of Isobicyclogermacrene?
The IUPAC name of Isobicyclogermacrene (CID 16055278) is (1R,2Z,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene.
What is the SMILES notation for Isobicyclogermacrene?
The canonical SMILES for Isobicyclogermacrene is C/C/1=C\CC/C(=C\[C@@H]2[C@H](C2(C)C)CC1)/C.
What is the InChIKey of Isobicyclogermacrene?
The InChIKey is VPDZRSSKICPUEY-ITVLWJPGSA-N. The full InChI is InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10-/t13-,14-/m1/s1.
What are the key properties of Isobicyclogermacrene?
Isobicyclogermacrene has a molecular weight of 204.35 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Isobicyclogermacrene is sourced from PubChem (CID 16055278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).