2,2-dimethylpropylsulfonyl 2,2-dimethylpropane-1-sulfonate

C10H22O5S2 — CID 12835612

IUPAC2,2-dimethylpropylsulfonyl 2,2-dimethylpropane-1-sulfonate
SMILESCC(C)(C)CS(=O)(=O)OS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H22O5S2/c1-9(2,3)7-16(11,12)15-17(13,14)8-10(4,5)6/h7-8H2,1-6H3
InChIKeyZMRIJANMVBDREA-UHFFFAOYSA-N
MW286.41 g/mol
LogP1.75
Rot. Bonds4

About 2,2-dimethylpropylsulfonyl 2,2-dimethylpropane-1-sulfonate

2,2-dimethylpropylsulfonyl 2,2-dimethylpropane-1-sulfonate (PubChem CID 12835612) has the molecular formula C10H22O5S2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 2,2-dimethylpropylsulfonyl 2,2-dimethylpropane-1-sulfonate.

Molecular Properties

Compound Name2,2-dimethylpropylsulfonyl 2,2-dimethylpropane-1-sulfonate
PubChem CID12835612
Molecular FormulaC10H22O5S2
Molecular Weight286.41 g/mol
Exact Mass286.09
IUPAC Name2,2-dimethylpropylsulfonyl 2,2-dimethylpropane-1-sulfonate
SMILESCC(C)(C)CS(=O)(=O)OS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H22O5S2/c1-9(2,3)7-16(11,12)15-17(13,14)8-10(4,5)6/h7-8H2,1-6H3
InChIKeyZMRIJANMVBDREA-UHFFFAOYSA-N
XLogP1.75
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropylsulfonyl 2,2-dimethylpropane-1-sulfonate?
The IUPAC name of 2,2-dimethylpropylsulfonyl 2,2-dimethylpropane-1-sulfonate (CID 12835612) is 2,2-dimethylpropylsulfonyl 2,2-dimethylpropane-1-sulfonate.
What is the SMILES notation for 2,2-dimethylpropylsulfonyl 2,2-dimethylpropane-1-sulfonate?
The canonical SMILES for 2,2-dimethylpropylsulfonyl 2,2-dimethylpropane-1-sulfonate is CC(C)(C)CS(=O)(=O)OS(=O)(=O)CC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropylsulfonyl 2,2-dimethylpropane-1-sulfonate?
The InChIKey is ZMRIJANMVBDREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5S2/c1-9(2,3)7-16(11,12)15-17(13,14)8-10(4,5)6/h7-8H2,1-6H3.
What are the key properties of 2,2-dimethylpropylsulfonyl 2,2-dimethylpropane-1-sulfonate?
2,2-dimethylpropylsulfonyl 2,2-dimethylpropane-1-sulfonate has a molecular weight of 286.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropylsulfonyl 2,2-dimethylpropane-1-sulfonate is sourced from PubChem (CID 12835612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).