potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane

C19H43Cl3IKO11P2S — CID 162107188

IUPACpotassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane
SMILESCC(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+]
InChIInChI=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
InChIKeyPRLLDVQFVSAPAX-UHFFFAOYSA-M
MW813.92 g/mol
LogP4.76
Rot. Bonds8

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 Namepotassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane
PubChem CID162107188
Molecular FormulaC19H43Cl3IKO11P2S
Molecular Weight813.92 g/mol
Exact Mass811.97
IUPAC Namepotassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane
SMILESCC(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+]
InChIInChI=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
InChIKeyPRLLDVQFVSAPAX-UHFFFAOYSA-M
XLogP4.76
TPSA146.72 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.92
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl hydrogen phosphate
CID 158973567
potassium;bis(bis[(2-methylpropan-2-yl)oxy]-oxophosphanium);chloro(iodo)methane;ditert-butyl chloromethyl phosphate;bis(ditert-butyl phosphate);hydrate;hydrochloride
CID 167691967
chloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;methane;tributylazanium
CID 169430874
silver ditert-butyl phosphate
CID 18428988
tert-butyl chloromethyl methyl phosphate
CID 89409373
ditert-butyl methylsulfonylmethyl phosphate
CID 156782919
chloro(chlorosulfonyloxy)methane;sulfurochloridic acid;thionyl dichloride
CID 159335050
tert-butyl 2,2-dimethylpropyl phosphate;ditert-butyl phosphate;bis(2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane)
CID 159361184
diazanium;tert-butyl phosphate
CID 121268914
1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane
CID 59862963
chloromethyl dimethyl phosphate
CID 88544336
chloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane
CID 87622493

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).