About trans-(1S,2S)-1,2-bis(ethenyl)cyclopentane
trans-(1S,2S)-1,2-bis(ethenyl)cyclopentane (PubChem CID 71413527) has the molecular formula C9H14
and a molecular weight of 122.21 g/mol. Its IUPAC name is trans-(1S,2S)-1,2-bis(ethenyl)cyclopentane.
Molecular Properties
| Compound Name | trans-(1S,2S)-1,2-bis(ethenyl)cyclopentane |
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| PubChem CID | 71413527 |
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| Molecular Formula | C9H14 |
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| Molecular Weight | 122.21 g/mol |
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| Exact Mass | 122.11 |
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| IUPAC Name | trans-(1S,2S)-1,2-bis(ethenyl)cyclopentane |
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| SMILES | C=C[C@@H]1CCC[C@H]1C=C |
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| InChI | InChI=1S/C9H14/c1-3-8-6-5-7-9(8)4-2/h3-4,8-9H,1-2,5-7H2/t8-,9-/m1/s1 |
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| InChIKey | WXLZOYIBXBZXGD-RKDXNWHRSA-N |
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| XLogP | 2.77 |
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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 | 2 |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 122.21 |
| LogP ≤ 5 | 2.77 |
| 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 trans-(1S,2S)-1,2-bis(ethenyl)cyclopentane?
The IUPAC name of trans-(1S,2S)-1,2-bis(ethenyl)cyclopentane (CID 71413527) is trans-(1S,2S)-1,2-bis(ethenyl)cyclopentane.
What is the SMILES notation for trans-(1S,2S)-1,2-bis(ethenyl)cyclopentane?
The canonical SMILES for trans-(1S,2S)-1,2-bis(ethenyl)cyclopentane is C=C[C@@H]1CCC[C@H]1C=C.
What is the InChIKey of trans-(1S,2S)-1,2-bis(ethenyl)cyclopentane?
The InChIKey is WXLZOYIBXBZXGD-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H14/c1-3-8-6-5-7-9(8)4-2/h3-4,8-9H,1-2,5-7H2/t8-,9-/m1/s1.
What are the key properties of trans-(1S,2S)-1,2-bis(ethenyl)cyclopentane?
trans-(1S,2S)-1,2-bis(ethenyl)cyclopentane has a molecular weight of 122.21 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1,2-bis(ethenyl)cyclopentane is sourced from PubChem (CID 71413527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).