About potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane
potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane (PubChem CID 162107188) has the molecular formula C19H43Cl3IKO11P2S
and a molecular weight of 813.92 g/mol. Its IUPAC name is potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane.
Molecular Properties
| Compound Name | potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane |
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| PubChem CID | 162107188 |
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| Molecular Formula | C19H43Cl3IKO11P2S |
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| Molecular Weight | 813.92 g/mol |
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| Exact Mass | 811.97 |
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| IUPAC Name | potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane |
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| SMILES | CC(C)(C)OP(=O)(OCCl)OC(C)(C)C.CC(C)(C)OP(=O)([O-])OC(C)(C)C.CI.O=S(=O)(Cl)OCCl.[K+] |
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| InChI | InChI=1S/C9H20ClO4P.C8H19O4P.CH2Cl2O3S.CH3I.K/c1-8(2,3)13-15(11,12-7-10)14-9(4,5)6;1-7(2,3)11-13(9,10)12-8(4,5)6;2-1-6-7(3,4)5;1-2;/h7H2,1-6H3;1-6H3,(H,9,10);1H2;1H3;/q;;;;+1/p-1 |
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| InChIKey | PRLLDVQFVSAPAX-UHFFFAOYSA-M |
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| XLogP | 4.76 |
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| TPSA | 146.72 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 813.92 |
| LogP ≤ 5 | 4.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane?
The IUPAC name of potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane (CID 162107188) is potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane.
What is the SMILES notation for potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane?
The canonical SMILES for potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane is CC(C)(C)OP(=O)(OCCl)OC(C)(C)C.CC(C)(C)OP(=O)([O-])OC(C)(C)C.CI.O=S(=O)(Cl)OCCl.[K+].
What is the InChIKey of potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane?
The InChIKey is PRLLDVQFVSAPAX-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20ClO4P.C8H19O4P.CH2Cl2O3S.CH3I.K/c1-8(2,3)13-15(11,12-7-10)14-9(4,5)6;1-7(2,3)11-13(9,10)12-8(4,5)6;2-1-6-7(3,4)5;1-2;/h7H2,1-6H3;1-6H3,(H,9,10);1H2;1H3;/q;;;;+1/p-1.
What are the key properties of potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane?
potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane has a molecular weight of 813.92 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane is sourced from PubChem (CID 162107188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).