1-methoxy-2-methyl-2-(2-methylpropylsulfonyl)propane

C9H20O3S — CID 58814993

IUPAC1-methoxy-2-methyl-2-(2-methylpropylsulfonyl)propane
SMILESCOCC(C)(C)S(=O)(=O)CC(C)C
InChIInChI=1S/C9H20O3S/c1-8(2)6-13(10,11)9(3,4)7-12-5/h8H,6-7H2,1-5H3
InChIKeyJEHLEEWCZBEQHV-UHFFFAOYSA-N
MW208.32 g/mol
LogP1.48
Rot. Bonds5

About 1-methoxy-2-methyl-2-(2-methylpropylsulfonyl)propane

1-methoxy-2-methyl-2-(2-methylpropylsulfonyl)propane (PubChem CID 58814993) has the molecular formula C9H20O3S and a molecular weight of 208.32 g/mol. Its IUPAC name is 1-methoxy-2-methyl-2-(2-methylpropylsulfonyl)propane.

Molecular Properties

Compound Name1-methoxy-2-methyl-2-(2-methylpropylsulfonyl)propane
PubChem CID58814993
Molecular FormulaC9H20O3S
Molecular Weight208.32 g/mol
Exact Mass208.11
IUPAC Name1-methoxy-2-methyl-2-(2-methylpropylsulfonyl)propane
SMILESCOCC(C)(C)S(=O)(=O)CC(C)C
InChIInChI=1S/C9H20O3S/c1-8(2)6-13(10,11)9(3,4)7-12-5/h8H,6-7H2,1-5H3
InChIKeyJEHLEEWCZBEQHV-UHFFFAOYSA-N
XLogP1.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-2-(2-methylpropylsulfonyl)propane?
The IUPAC name of 1-methoxy-2-methyl-2-(2-methylpropylsulfonyl)propane (CID 58814993) is 1-methoxy-2-methyl-2-(2-methylpropylsulfonyl)propane.
What is the SMILES notation for 1-methoxy-2-methyl-2-(2-methylpropylsulfonyl)propane?
The canonical SMILES for 1-methoxy-2-methyl-2-(2-methylpropylsulfonyl)propane is COCC(C)(C)S(=O)(=O)CC(C)C.
What is the InChIKey of 1-methoxy-2-methyl-2-(2-methylpropylsulfonyl)propane?
The InChIKey is JEHLEEWCZBEQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S/c1-8(2)6-13(10,11)9(3,4)7-12-5/h8H,6-7H2,1-5H3.
What are the key properties of 1-methoxy-2-methyl-2-(2-methylpropylsulfonyl)propane?
1-methoxy-2-methyl-2-(2-methylpropylsulfonyl)propane has a molecular weight of 208.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-2-(2-methylpropylsulfonyl)propane is sourced from PubChem (CID 58814993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).