About 12-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane
12-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane (PubChem CID 101057423) has the molecular formula C30H32
and a molecular weight of 392.59 g/mol. Its IUPAC name is 12-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane.
Molecular Properties
| Compound Name | 12-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane |
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| PubChem CID | 101057423 |
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| Molecular Formula | C30H32 |
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| Molecular Weight | 392.59 g/mol |
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| Exact Mass | 392.25 |
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| IUPAC Name | 12-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane |
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| SMILES | C1CC12C1(CC1)C21C(=C2C3(C4(CC4)C34CC4)C23C2(CC2)C32CC2)C12C1(CC1)C21CC1 |
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| InChI | InChI=1S/C30H32/c1-2-19(1)20(3-4-20)27(19)17(28(27)21(5-6-21)22(28)7-8-22)18-29(23(9-10-23)24(29)11-12-24)30(18)25(13-14-25)26(30)15-16-26/h1-16H2 |
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| InChIKey | ZOBLGBOCBRLRJN-UHFFFAOYSA-N |
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| XLogP | 6.55 |
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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 | 30 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 392.59 |
| LogP ≤ 5 | 6.55 |
| 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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Analyze 12-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane with MolForge
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Frequently Asked Questions
What is the IUPAC name of 12-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane?
The IUPAC name of 12-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane (CID 101057423) is 12-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane.
What is the SMILES notation for 12-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane?
The canonical SMILES for 12-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane is C1CC12C1(CC1)C21C(=C2C3(C4(CC4)C34CC4)C23C2(CC2)C32CC2)C12C1(CC1)C21CC1.
What is the InChIKey of 12-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane?
The InChIKey is ZOBLGBOCBRLRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32/c1-2-19(1)20(3-4-20)27(19)17(28(27)21(5-6-21)22(28)7-8-22)18-29(23(9-10-23)24(29)11-12-24)30(18)25(13-14-25)26(30)15-16-26/h1-16H2.
What are the key properties of 12-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane?
12-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane has a molecular weight of 392.59 g/mol, XLogP of 6.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane is sourced from PubChem (CID 101057423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).