About 2,2,13,13-tetramethylcyclotridecan-1-one
2,2,13,13-tetramethylcyclotridecan-1-one (PubChem CID 71335060) has the molecular formula C17H32O
and a molecular weight of 252.44 g/mol. Its IUPAC name is 2,2,13,13-tetramethylcyclotridecan-1-one.
Molecular Properties
| Compound Name | 2,2,13,13-tetramethylcyclotridecan-1-one |
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| PubChem CID | 71335060 |
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| Molecular Formula | C17H32O |
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| Molecular Weight | 252.44 g/mol |
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| Exact Mass | 252.25 |
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| IUPAC Name | 2,2,13,13-tetramethylcyclotridecan-1-one |
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| SMILES | CC1(C)CCCCCCCCCCC(C)(C)C1=O |
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| InChI | InChI=1S/C17H32O/c1-16(2)13-11-9-7-5-6-8-10-12-14-17(3,4)15(16)18/h5-14H2,1-4H3 |
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| InChIKey | QXLTXOUCFYQECV-UHFFFAOYSA-N |
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| XLogP | 5.52 |
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| TPSA | 17.07 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 18 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 252.44 |
| LogP ≤ 5 | 5.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2,2,13,13-tetramethylcyclotridecan-1-one?
The IUPAC name of 2,2,13,13-tetramethylcyclotridecan-1-one (CID 71335060) is 2,2,13,13-tetramethylcyclotridecan-1-one.
What is the SMILES notation for 2,2,13,13-tetramethylcyclotridecan-1-one?
The canonical SMILES for 2,2,13,13-tetramethylcyclotridecan-1-one is CC1(C)CCCCCCCCCCC(C)(C)C1=O.
What is the InChIKey of 2,2,13,13-tetramethylcyclotridecan-1-one?
The InChIKey is QXLTXOUCFYQECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-16(2)13-11-9-7-5-6-8-10-12-14-17(3,4)15(16)18/h5-14H2,1-4H3.
What are the key properties of 2,2,13,13-tetramethylcyclotridecan-1-one?
2,2,13,13-tetramethylcyclotridecan-1-one has a molecular weight of 252.44 g/mol, XLogP of 5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,13,13-tetramethylcyclotridecan-1-one is sourced from PubChem (CID 71335060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).