About 9-methyl-9H-fluorene;prop-1-ene
9-methyl-9H-fluorene;prop-1-ene (PubChem CID 145012304) has the molecular formula C17H18
and a molecular weight of 222.33 g/mol. Its IUPAC name is 9-methyl-9H-fluorene;prop-1-ene.
Molecular Properties
| Compound Name | 9-methyl-9H-fluorene;prop-1-ene |
| PubChem CID | 145012304 |
| Molecular Formula | C17H18 |
| Molecular Weight | 222.33 g/mol |
| Exact Mass | 222.14 |
| IUPAC Name | 9-methyl-9H-fluorene;prop-1-ene |
| SMILES | C=CC.CC1c2ccccc2-c2ccccc21 |
| InChI | InChI=1S/C14H12.C3H6/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;1-3-2/h2-10H,1H3;3H,1H2,2H3 |
| InChIKey | IWOUKYLDYHCTHG-UHFFFAOYSA-N |
| XLogP | 5.01 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 222.33 |
| LogP ≤ 5 | 5.01 |
| 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 9-methyl-9H-fluorene;prop-1-ene?
The IUPAC name of 9-methyl-9H-fluorene;prop-1-ene (CID 145012304) is 9-methyl-9H-fluorene;prop-1-ene.
What is the SMILES notation for 9-methyl-9H-fluorene;prop-1-ene?
The canonical SMILES for 9-methyl-9H-fluorene;prop-1-ene is C=CC.CC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-methyl-9H-fluorene;prop-1-ene?
The InChIKey is IWOUKYLDYHCTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.C3H6/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;1-3-2/h2-10H,1H3;3H,1H2,2H3.
What are the key properties of 9-methyl-9H-fluorene;prop-1-ene?
9-methyl-9H-fluorene;prop-1-ene has a molecular weight of 222.33 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9H-fluorene;prop-1-ene is sourced from PubChem (CID 145012304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).