2-(3-ethylsulfonylpropoxy)-2-methylpropane

C9H20O3S — CID 157310834

IUPAC2-(3-ethylsulfonylpropoxy)-2-methylpropane
SMILESCCS(=O)(=O)CCCOC(C)(C)C
InChIInChI=1S/C9H20O3S/c1-5-13(10,11)8-6-7-12-9(2,3)4/h5-8H2,1-4H3
InChIKeyMFKFNJJHJYHKRM-UHFFFAOYSA-N
MW208.32 g/mol
LogP1.63
Rot. Bonds5

About 2-(3-ethylsulfonylpropoxy)-2-methylpropane

2-(3-ethylsulfonylpropoxy)-2-methylpropane (PubChem CID 157310834) has the molecular formula C9H20O3S and a molecular weight of 208.32 g/mol. Its IUPAC name is 2-(3-ethylsulfonylpropoxy)-2-methylpropane.

Molecular Properties

Compound Name2-(3-ethylsulfonylpropoxy)-2-methylpropane
PubChem CID157310834
Molecular FormulaC9H20O3S
Molecular Weight208.32 g/mol
Exact Mass208.11
IUPAC Name2-(3-ethylsulfonylpropoxy)-2-methylpropane
SMILESCCS(=O)(=O)CCCOC(C)(C)C
InChIInChI=1S/C9H20O3S/c1-5-13(10,11)8-6-7-12-9(2,3)4/h5-8H2,1-4H3
InChIKeyMFKFNJJHJYHKRM-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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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Related Compounds

2-methyl-2-(2-methylsulfonylethoxy)propane
CID 89144849
2-[(2-methylpropan-2-yl)oxy]ethanesulfonate
CID 140594231
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
1-ethylsulfonyl-4,4-dimethylpentane
CID 11148231
[5-ethylsulfonyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]hydrazine
CID 105310977
1,6-bis(ethylsulfonyl)hexane
CID 54565943
1,8-bis(ethylsulfonyl)octane
CID 19033553
1,5-bis(ethylsulfonyl)pentane
CID 5250018
2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid
CID 112589540
2-(2-ethylsulfonylethoxy)-2-methylpropan-1-amine
CID 65053389
2-(3-methoxypropoxy)-2-methylpropane
CID 13445097
1-ethoxy-5-[(2-methylpropan-2-yl)oxy]pentane
CID 88911131

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylpropoxy)-2-methylpropane?
The IUPAC name of 2-(3-ethylsulfonylpropoxy)-2-methylpropane (CID 157310834) is 2-(3-ethylsulfonylpropoxy)-2-methylpropane.
What is the SMILES notation for 2-(3-ethylsulfonylpropoxy)-2-methylpropane?
The canonical SMILES for 2-(3-ethylsulfonylpropoxy)-2-methylpropane is CCS(=O)(=O)CCCOC(C)(C)C.
What is the InChIKey of 2-(3-ethylsulfonylpropoxy)-2-methylpropane?
The InChIKey is MFKFNJJHJYHKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S/c1-5-13(10,11)8-6-7-12-9(2,3)4/h5-8H2,1-4H3.
What are the key properties of 2-(3-ethylsulfonylpropoxy)-2-methylpropane?
2-(3-ethylsulfonylpropoxy)-2-methylpropane has a molecular weight of 208.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylpropoxy)-2-methylpropane is sourced from PubChem (CID 157310834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).