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

C12H25O4S+ — CID 58779969

IUPACdimethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]-2-oxoethyl]sulfanium
SMILESC[S+](C)CC(=O)OCCOCCOC(C)(C)C
InChIInChI=1S/C12H25O4S/c1-12(2,3)16-9-7-14-6-8-15-11(13)10-17(4)5/h6-10H2,1-5H3/q+1
InChIKeyLOARJJQPHRVCGC-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.24
Rot. Bonds8

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

dimethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]-2-oxoethyl]sulfanium (PubChem CID 58779969) has the molecular formula C12H25O4S+ and a molecular weight of 265.39 g/mol. Its IUPAC name is dimethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]-2-oxoethyl]sulfanium.

Molecular Properties

Compound Namedimethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]-2-oxoethyl]sulfanium
PubChem CID58779969
Molecular FormulaC12H25O4S+
Molecular Weight265.39 g/mol
Exact Mass265.15
IUPAC Namedimethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]-2-oxoethyl]sulfanium
SMILESC[S+](C)CC(=O)OCCOCCOC(C)(C)C
InChIInChI=1S/C12H25O4S/c1-12(2,3)16-9-7-14-6-8-15-11(13)10-17(4)5/h6-10H2,1-5H3/q+1
InChIKeyLOARJJQPHRVCGC-UHFFFAOYSA-N
XLogP1.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dithiothreitol tetraacetate
CID 162250
Ethanethioic acid, S1,S1'-((2R,3R)-2,3-bis(acetyloxy)-1,4-butanediyl) ester
CID 100935
O-ethyl S-(tert-butoxycarbonyl)methyl dithiocarbonate
CID 10857462
Dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanium
CID 11196174
[(2S)-2-acetyloxy-2-butylsulfanylethyl] acetate
CID 134937969
[(2S)-2-acetyloxy-2-propan-2-ylsulfanylethyl] acetate
CID 134986206
(2S,3S)-1,4-Bis(acetylsulfanyl)butane-2,3-diyl diacetate
CID 92256608
Ethyl 2-{[2-(tert-butoxy)-2-oxoethyl]sulfanyl}-2-fluoroacetate
CID 116686548
ethyl (2S)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate
CID 124573270
ethyl (2R)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate
CID 124573271
F-PEG2-S-Boc
CID 162642560
(2-Acetyloxy-3-acetylsulfanylpropyl) acetate
CID 248657

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]-2-oxoethyl]sulfanium?
The IUPAC name of dimethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]-2-oxoethyl]sulfanium (CID 58779969) is dimethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]-2-oxoethyl]sulfanium.
What is the SMILES notation for dimethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]-2-oxoethyl]sulfanium?
The canonical SMILES for dimethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]-2-oxoethyl]sulfanium is C[S+](C)CC(=O)OCCOCCOC(C)(C)C.
What is the InChIKey of dimethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]-2-oxoethyl]sulfanium?
The InChIKey is LOARJJQPHRVCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O4S/c1-12(2,3)16-9-7-14-6-8-15-11(13)10-17(4)5/h6-10H2,1-5H3/q+1.
What are the key properties of dimethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]-2-oxoethyl]sulfanium?
dimethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]-2-oxoethyl]sulfanium has a molecular weight of 265.39 g/mol, XLogP of 1.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]-2-oxoethyl]sulfanium is sourced from PubChem (CID 58779969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).