2-methyl-2-(propoxymethylsulfonyl)propane

C8H18O3S — CID 58062473

IUPAC2-methyl-2-(propoxymethylsulfonyl)propane
SMILESCCCOCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H18O3S/c1-5-6-11-7-12(9,10)8(2,3)4/h5-7H2,1-4H3
InChIKeyUVMGUJDEGJVFND-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.58
Rot. Bonds4

About 2-methyl-2-(propoxymethylsulfonyl)propane

2-methyl-2-(propoxymethylsulfonyl)propane (PubChem CID 58062473) has the molecular formula C8H18O3S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-methyl-2-(propoxymethylsulfonyl)propane.

Molecular Properties

Compound Name2-methyl-2-(propoxymethylsulfonyl)propane
PubChem CID58062473
Molecular FormulaC8H18O3S
Molecular Weight194.30 g/mol
Exact Mass194.10
IUPAC Name2-methyl-2-(propoxymethylsulfonyl)propane
SMILESCCCOCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H18O3S/c1-5-6-11-7-12(9,10)8(2,3)4/h5-7H2,1-4H3
InChIKeyUVMGUJDEGJVFND-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propoxymethylsulfonyl)propane?
The IUPAC name of 2-methyl-2-(propoxymethylsulfonyl)propane (CID 58062473) is 2-methyl-2-(propoxymethylsulfonyl)propane.
What is the SMILES notation for 2-methyl-2-(propoxymethylsulfonyl)propane?
The canonical SMILES for 2-methyl-2-(propoxymethylsulfonyl)propane is CCCOCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-2-(propoxymethylsulfonyl)propane?
The InChIKey is UVMGUJDEGJVFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3S/c1-5-6-11-7-12(9,10)8(2,3)4/h5-7H2,1-4H3.
What are the key properties of 2-methyl-2-(propoxymethylsulfonyl)propane?
2-methyl-2-(propoxymethylsulfonyl)propane has a molecular weight of 194.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propoxymethylsulfonyl)propane is sourced from PubChem (CID 58062473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).