dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium

C8H17O2S+ — CID 11196174

IUPACdimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium
SMILESC[S+](C)CC(=O)OC(C)(C)C
InChIInChI=1S/C8H17O2S/c1-8(2,3)10-7(9)6-11(4)5/h6H2,1-5H3/q+1
InChIKeyPULIPZNPGDZSGY-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.21
Rot. Bonds2

About dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium

dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium (PubChem CID 11196174) has the molecular formula C8H17O2S+ and a molecular weight of 177.29 g/mol. Its IUPAC name is dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium.

Molecular Properties

Compound Namedimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium
PubChem CID11196174
Molecular FormulaC8H17O2S+
Molecular Weight177.29 g/mol
Exact Mass177.09
IUPAC Namedimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium
SMILESC[S+](C)CC(=O)OC(C)(C)C
InChIInChI=1S/C8H17O2S/c1-8(2,3)10-7(9)6-11(4)5/h6H2,1-5H3/q+1
InChIKeyPULIPZNPGDZSGY-UHFFFAOYSA-N
XLogP1.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carbonothioic acid, O-(1,1-dimethylethyl) S-(1-(methylthio)ethyl) ester
CID 37555
Ethyl 2-(tert-butylsulfanyl)acetate
CID 4961815
Tert-butyl thiocyanatoacetate
CID 219654
O-ethyl S-(tert-butoxycarbonyl)methyl dithiocarbonate
CID 10857462
t-Butyl 2-(dimethyl-lambda 4-sulfanylidene)acetate
CID 10997584
Tert-butyl 2-tert-butylsulfanylacetate
CID 11148405
Tert-butyl 3-methylsulfanylpropanoate
CID 21760301
Tert-butyl 2-(thiolan-1-ium-1-yl)acetate
CID 59015622
Tert-butyl 2-(acetylthio)acetate
CID 86001307
(2-t-Butoxy-2-oxoethyl)(dimethyl)sulfanium bromide
CID 129755676
Tert-butyl 2-(4-fluorobutylsulfanyl)propanoate
CID 87341709
Tert-butyl 2-(3-fluoropropylsulfanyl)propanoate
CID 87342246

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium?
The IUPAC name of dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium (CID 11196174) is dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium.
What is the SMILES notation for dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium?
The canonical SMILES for dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium is C[S+](C)CC(=O)OC(C)(C)C.
What is the InChIKey of dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium?
The InChIKey is PULIPZNPGDZSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O2S/c1-8(2,3)10-7(9)6-11(4)5/h6H2,1-5H3/q+1.
What are the key properties of dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium?
dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium has a molecular weight of 177.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium is sourced from PubChem (CID 11196174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).