About 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene
1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene (PubChem CID 158632163) has the molecular formula C51H88
and a molecular weight of 701.26 g/mol. Its IUPAC name is 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene.
Molecular Properties
| Compound Name | 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene |
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| PubChem CID | 158632163 |
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| Molecular Formula | C51H88 |
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| Molecular Weight | 701.26 g/mol |
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| Exact Mass | 700.69 |
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| IUPAC Name | 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene |
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| SMILES | C1CCC(CC(CC2CCCCC2)C2CCCCC2)CC1.C=C.C=C.C=C.C=C1CCC(CC(CC2CCC(=C)CC2)C2CCC(=C)CC2)CC1 |
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| InChI | InChI=1S/C24H38.C21H38.3C2H4/c1-18-4-10-21(11-5-18)16-24(23-14-8-20(3)9-15-23)17-22-12-6-19(2)7-13-22;1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19;3*1-2/h21-24H,1-17H2;18-21H,1-17H2;3*1-2H2 |
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| InChIKey | HZIHADSJZHLJAU-UHFFFAOYSA-N |
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| XLogP | 17.15 |
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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 | 10 |
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| Heavy Atoms | 51 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 701.26 |
| LogP ≤ 5 | 17.15 |
| 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 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene?
The IUPAC name of 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene (CID 158632163) is 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene.
What is the SMILES notation for 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene?
The canonical SMILES for 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene is C1CCC(CC(CC2CCCCC2)C2CCCCC2)CC1.C=C.C=C.C=C.C=C1CCC(CC(CC2CCC(=C)CC2)C2CCC(=C)CC2)CC1.
What is the InChIKey of 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene?
The InChIKey is HZIHADSJZHLJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38.C21H38.3C2H4/c1-18-4-10-21(11-5-18)16-24(23-14-8-20(3)9-15-23)17-22-12-6-19(2)7-13-22;1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19;3*1-2/h21-24H,1-17H2;18-21H,1-17H2;3*1-2H2.
What are the key properties of 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene?
1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene has a molecular weight of 701.26 g/mol, XLogP of 17.15, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene is sourced from PubChem (CID 158632163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).