1-(2-methoxyethylsulfonyl)-2,2-dimethylpropane

C8H18O3S — CID 170105428

IUPAC1-(2-methoxyethylsulfonyl)-2,2-dimethylpropane
SMILESCOCCS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C8H18O3S/c1-8(2,3)7-12(9,10)6-5-11-4/h5-7H2,1-4H3
InChIKeyJLEBOKOGMLDQGR-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.09
Rot. Bonds4

About 1-(2-methoxyethylsulfonyl)-2,2-dimethylpropane

1-(2-methoxyethylsulfonyl)-2,2-dimethylpropane (PubChem CID 170105428) has the molecular formula C8H18O3S and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)-2,2-dimethylpropane.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)-2,2-dimethylpropane
PubChem CID170105428
Molecular FormulaC8H18O3S
Molecular Weight194.30 g/mol
Exact Mass194.10
IUPAC Name1-(2-methoxyethylsulfonyl)-2,2-dimethylpropane
SMILESCOCCS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C8H18O3S/c1-8(2,3)7-12(9,10)6-5-11-4/h5-7H2,1-4H3
InChIKeyJLEBOKOGMLDQGR-UHFFFAOYSA-N
XLogP1.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)-2,2-dimethylpropane?
The IUPAC name of 1-(2-methoxyethylsulfonyl)-2,2-dimethylpropane (CID 170105428) is 1-(2-methoxyethylsulfonyl)-2,2-dimethylpropane.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)-2,2-dimethylpropane?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)-2,2-dimethylpropane is COCCS(=O)(=O)CC(C)(C)C.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)-2,2-dimethylpropane?
The InChIKey is JLEBOKOGMLDQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3S/c1-8(2,3)7-12(9,10)6-5-11-4/h5-7H2,1-4H3.
What are the key properties of 1-(2-methoxyethylsulfonyl)-2,2-dimethylpropane?
1-(2-methoxyethylsulfonyl)-2,2-dimethylpropane has a molecular weight of 194.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)-2,2-dimethylpropane is sourced from PubChem (CID 170105428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).