3-ethylsulfonyl-2,2,5,5-tetramethylhexane

C12H26O2S — CID 89252168

IUPAC3-ethylsulfonyl-2,2,5,5-tetramethylhexane
SMILESCCS(=O)(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26O2S/c1-8-15(13,14)10(12(5,6)7)9-11(2,3)4/h10H,8-9H2,1-7H3
InChIKeyURELNEUSKKIDQR-UHFFFAOYSA-N
MW234.40 g/mol
LogP3.27
Rot. Bonds3

About 3-ethylsulfonyl-2,2,5,5-tetramethylhexane

3-ethylsulfonyl-2,2,5,5-tetramethylhexane (PubChem CID 89252168) has the molecular formula C12H26O2S and a molecular weight of 234.40 g/mol. Its IUPAC name is 3-ethylsulfonyl-2,2,5,5-tetramethylhexane.

Molecular Properties

Compound Name3-ethylsulfonyl-2,2,5,5-tetramethylhexane
PubChem CID89252168
Molecular FormulaC12H26O2S
Molecular Weight234.40 g/mol
Exact Mass234.17
IUPAC Name3-ethylsulfonyl-2,2,5,5-tetramethylhexane
SMILESCCS(=O)(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26O2S/c1-8-15(13,14)10(12(5,6)7)9-11(2,3)4/h10H,8-9H2,1-7H3
InChIKeyURELNEUSKKIDQR-UHFFFAOYSA-N
XLogP3.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-2,2,5,5-tetramethylhexane?
The IUPAC name of 3-ethylsulfonyl-2,2,5,5-tetramethylhexane (CID 89252168) is 3-ethylsulfonyl-2,2,5,5-tetramethylhexane.
What is the SMILES notation for 3-ethylsulfonyl-2,2,5,5-tetramethylhexane?
The canonical SMILES for 3-ethylsulfonyl-2,2,5,5-tetramethylhexane is CCS(=O)(=O)C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-ethylsulfonyl-2,2,5,5-tetramethylhexane?
The InChIKey is URELNEUSKKIDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2S/c1-8-15(13,14)10(12(5,6)7)9-11(2,3)4/h10H,8-9H2,1-7H3.
What are the key properties of 3-ethylsulfonyl-2,2,5,5-tetramethylhexane?
3-ethylsulfonyl-2,2,5,5-tetramethylhexane has a molecular weight of 234.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-2,2,5,5-tetramethylhexane is sourced from PubChem (CID 89252168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).