About methylidenecyclohexane;styrene
methylidenecyclohexane;styrene (PubChem CID 163512198) has the molecular formula C15H20
and a molecular weight of 200.33 g/mol. Its IUPAC name is methylidenecyclohexane;styrene.
Molecular Properties
| Compound Name | methylidenecyclohexane;styrene |
| PubChem CID | 163512198 |
| Molecular Formula | C15H20 |
| Molecular Weight | 200.33 g/mol |
| Exact Mass | 200.16 |
| IUPAC Name | methylidenecyclohexane;styrene |
| SMILES | C=C1CCCCC1.C=Cc1ccccc1 |
| InChI | InChI=1S/C8H8.C7H12/c1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7/h2-7H,1H2;1-6H2 |
| InChIKey | DDPQFQRDRMGHQY-UHFFFAOYSA-N |
| XLogP | 4.84 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 1 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 200.33 |
| LogP ≤ 5 | 4.84 |
| 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 methylidenecyclohexane;styrene?
The IUPAC name of methylidenecyclohexane;styrene (CID 163512198) is methylidenecyclohexane;styrene.
What is the SMILES notation for methylidenecyclohexane;styrene?
The canonical SMILES for methylidenecyclohexane;styrene is C=C1CCCCC1.C=Cc1ccccc1.
What is the InChIKey of methylidenecyclohexane;styrene?
The InChIKey is DDPQFQRDRMGHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C7H12/c1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7/h2-7H,1H2;1-6H2.
What are the key properties of methylidenecyclohexane;styrene?
methylidenecyclohexane;styrene has a molecular weight of 200.33 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylidenecyclohexane;styrene is sourced from PubChem (CID 163512198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).