2,2-dimethylpropyl 2,2-dimethylpropane-1-sulfinate

C10H22O2S — CID 126704907

IUPAC2,2-dimethylpropyl 2,2-dimethylpropane-1-sulfinate
SMILESCC(C)(C)COS(=O)CC(C)(C)C
InChIInChI=1S/C10H22O2S/c1-9(2,3)7-12-13(11)8-10(4,5)6/h7-8H2,1-6H3
InChIKeyBXJLSHUALSNHNE-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.76
Rot. Bonds3

About 2,2-dimethylpropyl 2,2-dimethylpropane-1-sulfinate

2,2-dimethylpropyl 2,2-dimethylpropane-1-sulfinate (PubChem CID 126704907) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2,2-dimethylpropane-1-sulfinate.

Molecular Properties

Compound Name2,2-dimethylpropyl 2,2-dimethylpropane-1-sulfinate
PubChem CID126704907
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name2,2-dimethylpropyl 2,2-dimethylpropane-1-sulfinate
SMILESCC(C)(C)COS(=O)CC(C)(C)C
InChIInChI=1S/C10H22O2S/c1-9(2,3)7-12-13(11)8-10(4,5)6/h7-8H2,1-6H3
InChIKeyBXJLSHUALSNHNE-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,2-dimethyl-1-(2-methylprop-1-enoxy)propane
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bis(2,2-dimethylpropyl) 2,3-bis(2,2-dimethylpropyl)butanedioate
CID 22241877
1-methoxy-2,2-dimethylpropane;molecular hydrogen
CID 167547709
1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane
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magnesium;1-methoxy-2,2-dimethylpropane;dichloride
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2,2-dimethylpropane-1-sulfinate?
The IUPAC name of 2,2-dimethylpropyl 2,2-dimethylpropane-1-sulfinate (CID 126704907) is 2,2-dimethylpropyl 2,2-dimethylpropane-1-sulfinate.
What is the SMILES notation for 2,2-dimethylpropyl 2,2-dimethylpropane-1-sulfinate?
The canonical SMILES for 2,2-dimethylpropyl 2,2-dimethylpropane-1-sulfinate is CC(C)(C)COS(=O)CC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl 2,2-dimethylpropane-1-sulfinate?
The InChIKey is BXJLSHUALSNHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-9(2,3)7-12-13(11)8-10(4,5)6/h7-8H2,1-6H3.
What are the key properties of 2,2-dimethylpropyl 2,2-dimethylpropane-1-sulfinate?
2,2-dimethylpropyl 2,2-dimethylpropane-1-sulfinate has a molecular weight of 206.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 2,2-dimethylpropane-1-sulfinate is sourced from PubChem (CID 126704907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).