About ethane;ethenylcyclohexane;prop-2-enylbenzene;styrene
ethane;ethenylcyclohexane;prop-2-enylbenzene;styrene (PubChem CID 164544485) has the molecular formula C29H44
and a molecular weight of 392.67 g/mol. Its IUPAC name is ethane;ethenylcyclohexane;prop-2-enylbenzene;styrene.
Molecular Properties
| Compound Name | ethane;ethenylcyclohexane;prop-2-enylbenzene;styrene |
|---|
| PubChem CID | 164544485 |
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| Molecular Formula | C29H44 |
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| Molecular Weight | 392.67 g/mol |
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| Exact Mass | 392.34 |
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| IUPAC Name | ethane;ethenylcyclohexane;prop-2-enylbenzene;styrene |
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| SMILES | C=CC1CCCCC1.C=CCc1ccccc1.C=Cc1ccccc1.CC.CC |
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| InChI | InChI=1S/C9H10.C8H14.C8H8.2C2H6/c1-2-6-9-7-4-3-5-8-9;2*1-2-8-6-4-3-5-7-8;2*1-2/h2-5,7-8H,1,6H2;2,8H,1,3-7H2;2-7H,1H2;2*1-2H3 |
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| InChIKey | GJFLODBKIOSTFV-UHFFFAOYSA-N |
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| XLogP | 9.55 |
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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 | 4 |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 392.67 |
| LogP ≤ 5 | 9.55 |
| 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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Frequently Asked Questions
What is the IUPAC name of ethane;ethenylcyclohexane;prop-2-enylbenzene;styrene?
The IUPAC name of ethane;ethenylcyclohexane;prop-2-enylbenzene;styrene (CID 164544485) is ethane;ethenylcyclohexane;prop-2-enylbenzene;styrene.
What is the SMILES notation for ethane;ethenylcyclohexane;prop-2-enylbenzene;styrene?
The canonical SMILES for ethane;ethenylcyclohexane;prop-2-enylbenzene;styrene is C=CC1CCCCC1.C=CCc1ccccc1.C=Cc1ccccc1.CC.CC.
What is the InChIKey of ethane;ethenylcyclohexane;prop-2-enylbenzene;styrene?
The InChIKey is GJFLODBKIOSTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C8H14.C8H8.2C2H6/c1-2-6-9-7-4-3-5-8-9;2*1-2-8-6-4-3-5-7-8;2*1-2/h2-5,7-8H,1,6H2;2,8H,1,3-7H2;2-7H,1H2;2*1-2H3.
What are the key properties of ethane;ethenylcyclohexane;prop-2-enylbenzene;styrene?
ethane;ethenylcyclohexane;prop-2-enylbenzene;styrene has a molecular weight of 392.67 g/mol, XLogP of 9.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenylcyclohexane;prop-2-enylbenzene;styrene is sourced from PubChem (CID 164544485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).