About methylcyclohexane;prop-2-enoxybenzene
methylcyclohexane;prop-2-enoxybenzene (PubChem CID 144583061) has the molecular formula C16H24O
and a molecular weight of 232.37 g/mol. Its IUPAC name is methylcyclohexane;prop-2-enoxybenzene.
Molecular Properties
| Compound Name | methylcyclohexane;prop-2-enoxybenzene |
|---|
| PubChem CID | 144583061 |
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| Molecular Formula | C16H24O |
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| Molecular Weight | 232.37 g/mol |
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| Exact Mass | 232.18 |
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| IUPAC Name | methylcyclohexane;prop-2-enoxybenzene |
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| SMILES | C=CCOc1ccccc1.CC1CCCCC1 |
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| InChI | InChI=1S/C9H10O.C7H14/c1-2-8-10-9-6-4-3-5-7-9;1-7-5-3-2-4-6-7/h2-7H,1,8H2;7H,2-6H2,1H3 |
|---|
| InChIKey | UOLJEUFCBVBISD-UHFFFAOYSA-N |
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| XLogP | 4.84 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 17 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 232.37 |
| LogP ≤ 5 | 4.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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 methylcyclohexane;prop-2-enoxybenzene?
The IUPAC name of methylcyclohexane;prop-2-enoxybenzene (CID 144583061) is methylcyclohexane;prop-2-enoxybenzene.
What is the SMILES notation for methylcyclohexane;prop-2-enoxybenzene?
The canonical SMILES for methylcyclohexane;prop-2-enoxybenzene is C=CCOc1ccccc1.CC1CCCCC1.
What is the InChIKey of methylcyclohexane;prop-2-enoxybenzene?
The InChIKey is UOLJEUFCBVBISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C7H14/c1-2-8-10-9-6-4-3-5-7-9;1-7-5-3-2-4-6-7/h2-7H,1,8H2;7H,2-6H2,1H3.
What are the key properties of methylcyclohexane;prop-2-enoxybenzene?
methylcyclohexane;prop-2-enoxybenzene has a molecular weight of 232.37 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclohexane;prop-2-enoxybenzene is sourced from PubChem (CID 144583061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).