3-methyl-1-(2-propan-2-yloxyethylsulfonyl)butane

C10H22O3S — CID 78876710

IUPAC3-methyl-1-(2-propan-2-yloxyethylsulfonyl)butane
SMILESCC(C)CCS(=O)(=O)CCOC(C)C
InChIInChI=1S/C10H22O3S/c1-9(2)5-7-14(11,12)8-6-13-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyAFTBAPNFYAOWFO-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.87
Rot. Bonds7

About 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)butane

3-methyl-1-(2-propan-2-yloxyethylsulfonyl)butane (PubChem CID 78876710) has the molecular formula C10H22O3S and a molecular weight of 222.35 g/mol. Its IUPAC name is 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)butane.

Molecular Properties

Compound Name3-methyl-1-(2-propan-2-yloxyethylsulfonyl)butane
PubChem CID78876710
Molecular FormulaC10H22O3S
Molecular Weight222.35 g/mol
Exact Mass222.13
IUPAC Name3-methyl-1-(2-propan-2-yloxyethylsulfonyl)butane
SMILESCC(C)CCS(=O)(=O)CCOC(C)C
InChIInChI=1S/C10H22O3S/c1-9(2)5-7-14(11,12)8-6-13-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyAFTBAPNFYAOWFO-UHFFFAOYSA-N
XLogP1.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)butane?
The IUPAC name of 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)butane (CID 78876710) is 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)butane.
What is the SMILES notation for 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)butane?
The canonical SMILES for 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)butane is CC(C)CCS(=O)(=O)CCOC(C)C.
What is the InChIKey of 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)butane?
The InChIKey is AFTBAPNFYAOWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S/c1-9(2)5-7-14(11,12)8-6-13-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)butane?
3-methyl-1-(2-propan-2-yloxyethylsulfonyl)butane has a molecular weight of 222.35 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)butane is sourced from PubChem (CID 78876710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).