About (3S,4S)-3,4-dimethyl-6-methylidenecyclohexene
(3S,4S)-3,4-dimethyl-6-methylidenecyclohexene (PubChem CID 59584717) has the molecular formula C9H14
and a molecular weight of 122.21 g/mol. Its IUPAC name is (3S,4S)-3,4-dimethyl-6-methylidenecyclohexene.
Molecular Properties
| Compound Name | (3S,4S)-3,4-dimethyl-6-methylidenecyclohexene |
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| PubChem CID | 59584717 |
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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 | (3S,4S)-3,4-dimethyl-6-methylidenecyclohexene |
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| SMILES | C=C1C=C[C@@H](C)[C@@H](C)C1 |
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| InChI | InChI=1S/C9H14/c1-7-4-5-8(2)9(3)6-7/h4-5,8-9H,1,6H2,2-3H3/t8-,9+/m1/s1 |
|---|
| InChIKey | ZTOHHLRYWMIFOJ-BDAKNGLRSA-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 | |
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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 |
|---|
| MW ≤ 500 | 122.21 |
| LogP ≤ 5 | 2.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of (3S,4S)-3,4-dimethyl-6-methylidenecyclohexene?
The IUPAC name of (3S,4S)-3,4-dimethyl-6-methylidenecyclohexene (CID 59584717) is (3S,4S)-3,4-dimethyl-6-methylidenecyclohexene.
What is the SMILES notation for (3S,4S)-3,4-dimethyl-6-methylidenecyclohexene?
The canonical SMILES for (3S,4S)-3,4-dimethyl-6-methylidenecyclohexene is C=C1C=C[C@@H](C)[C@@H](C)C1.
What is the InChIKey of (3S,4S)-3,4-dimethyl-6-methylidenecyclohexene?
The InChIKey is ZTOHHLRYWMIFOJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H14/c1-7-4-5-8(2)9(3)6-7/h4-5,8-9H,1,6H2,2-3H3/t8-,9+/m1/s1.
What are the key properties of (3S,4S)-3,4-dimethyl-6-methylidenecyclohexene?
(3S,4S)-3,4-dimethyl-6-methylidenecyclohexene has a molecular weight of 122.21 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dimethyl-6-methylidenecyclohexene is sourced from PubChem (CID 59584717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).