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

C10H22O3S — CID 58814916

IUPAC1-ethoxy-2-methyl-2-(2-methylpropylsulfonyl)propane
SMILESCCOCC(C)(C)S(=O)(=O)CC(C)C
InChIInChI=1S/C10H22O3S/c1-6-13-8-10(4,5)14(11,12)7-9(2)3/h9H,6-8H2,1-5H3
InChIKeyFRQAPWFXDMPNEZ-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.87
Rot. Bonds6

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

1-ethoxy-2-methyl-2-(2-methylpropylsulfonyl)propane (PubChem CID 58814916) has the molecular formula C10H22O3S and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-ethoxy-2-methyl-2-(2-methylpropylsulfonyl)propane.

Molecular Properties

Compound Name1-ethoxy-2-methyl-2-(2-methylpropylsulfonyl)propane
PubChem CID58814916
Molecular FormulaC10H22O3S
Molecular Weight222.35 g/mol
Exact Mass222.13
IUPAC Name1-ethoxy-2-methyl-2-(2-methylpropylsulfonyl)propane
SMILESCCOCC(C)(C)S(=O)(=O)CC(C)C
InChIInChI=1S/C10H22O3S/c1-6-13-8-10(4,5)14(11,12)7-9(2)3/h9H,6-8H2,1-5H3
InChIKeyFRQAPWFXDMPNEZ-UHFFFAOYSA-N
XLogP1.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

3-ethyl-3-(2-methylpropylsulfonyl)pentane
CID 58814812
ethane;1-ethoxy-2,2-dimethylpropane
CID 155734553
4,4-bis(ethoxymethyl)-2-methylhexane
CID 89107052
1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine
CID 166780842
2-chloro-1-ethoxy-2-(ethoxymethyl)-5-methylhexane
CID 19985407
3-ethoxy-2,2-dimethylpropanoyl chloride
CID 14459646
ethoxyethane;silylsulfonylsilane
CID 173255647
ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane
CID 125455135
2,2-bis(ethylsulfonyl)-3-methylbutane
CID 87259989
2,2-difluoro-3-methyl-1-(methylsulfonylmethoxy)butane
CID 122450408
(4-ethoxy-2,2,3,3-tetrafluorobutyl) methanesulfonate
CID 58361960
4-ethoxy-N-[2-(2-methylpropylsulfonyl)ethyl]butan-1-amine
CID 106512953

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methyl-2-(2-methylpropylsulfonyl)propane?
The IUPAC name of 1-ethoxy-2-methyl-2-(2-methylpropylsulfonyl)propane (CID 58814916) is 1-ethoxy-2-methyl-2-(2-methylpropylsulfonyl)propane.
What is the SMILES notation for 1-ethoxy-2-methyl-2-(2-methylpropylsulfonyl)propane?
The canonical SMILES for 1-ethoxy-2-methyl-2-(2-methylpropylsulfonyl)propane is CCOCC(C)(C)S(=O)(=O)CC(C)C.
What is the InChIKey of 1-ethoxy-2-methyl-2-(2-methylpropylsulfonyl)propane?
The InChIKey is FRQAPWFXDMPNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S/c1-6-13-8-10(4,5)14(11,12)7-9(2)3/h9H,6-8H2,1-5H3.
What are the key properties of 1-ethoxy-2-methyl-2-(2-methylpropylsulfonyl)propane?
1-ethoxy-2-methyl-2-(2-methylpropylsulfonyl)propane has a molecular weight of 222.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methyl-2-(2-methylpropylsulfonyl)propane is sourced from PubChem (CID 58814916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).