(3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate

C10H19ClO5S — CID 135339163

IUPAC(3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate
SMILESCC(C)(COC(=O)C(C)(C)C)COS(=O)(=O)Cl
InChIInChI=1S/C10H19ClO5S/c1-9(2,3)8(12)15-6-10(4,5)7-16-17(11,13)14/h6-7H2,1-5H3
InChIKeyBQACKRRISVTIGI-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.10
Rot. Bonds5

About (3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate

(3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate (PubChem CID 135339163) has the molecular formula C10H19ClO5S and a molecular weight of 286.78 g/mol. Its IUPAC name is (3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate
PubChem CID135339163
Molecular FormulaC10H19ClO5S
Molecular Weight286.78 g/mol
Exact Mass286.06
IUPAC Name(3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate
SMILESCC(C)(COC(=O)C(C)(C)C)COS(=O)(=O)Cl
InChIInChI=1S/C10H19ClO5S/c1-9(2,3)8(12)15-6-10(4,5)7-16-17(11,13)14/h6-7H2,1-5H3
InChIKeyBQACKRRISVTIGI-UHFFFAOYSA-N
XLogP2.10
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate 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

chlorosulfonylmethyl 2,2-dimethylpropanoate
CID 135151279
(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate
CID 10583373
(3-chloro-2,2-dimethyl-3-oxopropyl) 2,2-dimethylpropanoate
CID 123416365
(2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate
CID 143779600
(3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate
CID 58354404
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
CID 175568582
disodium;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonic acid;sulfate
CID 172748865
[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl] 3-hydroxy-2,2-dimethylpropanoate
CID 21116186
(2,2-dimethyl-3-methylsulfonyloxypropyl) methanesulfonate;2,2-dimethylpropane-1,3-diol;methane;methanesulfonyl chloride
CID 159490241
[3-(2,2-dichloropropanoyloxy)-2,2-bis(2,2-dichloropropanoyloxymethyl)propyl] 2,2-dichloropropanoate
CID 6431955
(4-hydroxy-2,2-dimethylbutyl) 3-hydroxy-2,2-dimethylpropanoate
CID 54059951

Frequently Asked Questions

What is the IUPAC name of (3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate?
The IUPAC name of (3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate (CID 135339163) is (3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate?
The canonical SMILES for (3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate is CC(C)(COC(=O)C(C)(C)C)COS(=O)(=O)Cl.
What is the InChIKey of (3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate?
The InChIKey is BQACKRRISVTIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO5S/c1-9(2,3)8(12)15-6-10(4,5)7-16-17(11,13)14/h6-7H2,1-5H3.
What are the key properties of (3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate?
(3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate has a molecular weight of 286.78 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 135339163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).