dimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium

C10H19O4S+ — CID 58780013

IUPACdimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium
SMILESCC(C)C(=O)OCCOC(=O)C[S+](C)C
InChIInChI=1S/C10H19O4S/c1-8(2)10(12)14-6-5-13-9(11)7-15(3)4/h8H,5-7H2,1-4H3/q+1
InChIKeyQSRHOIHYUHRGMC-UHFFFAOYSA-N
MW235.32 g/mol
LogP0.61
Rot. Bonds6

About dimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium

dimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium (PubChem CID 58780013) has the molecular formula C10H19O4S+ and a molecular weight of 235.32 g/mol. Its IUPAC name is dimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium.

Molecular Properties

Compound Namedimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium
PubChem CID58780013
Molecular FormulaC10H19O4S+
Molecular Weight235.32 g/mol
Exact Mass235.10
IUPAC Namedimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium
SMILESCC(C)C(=O)OCCOC(=O)C[S+](C)C
InChIInChI=1S/C10H19O4S/c1-8(2)10(12)14-6-5-13-9(11)7-15(3)4/h8H,5-7H2,1-4H3/q+1
InChIKeyQSRHOIHYUHRGMC-UHFFFAOYSA-N
XLogP0.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 50.61
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

2-(2-iodopropanoyloxy)ethyl 2-methylpropanoate
CID 166970068
2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate
CID 118600993
trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium chloride
CID 139213202
3-aminopropyl 2-methylpropanoate
CID 59078098
tris[2-(2-methylpropanoyloxy)ethyl]azanium
CID 154048574
(3-ethoxy-3-oxopropyl) 2-methylpropanoate
CID 59093040
2-(2-sulfanylethoxy)ethyl 2-methylpropanoate
CID 121415381
dibutyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium;dibutyl-[2-oxo-2-(2-propanoyloxyethoxy)ethyl]sulfanium;diethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium;diethyl-[2-oxo-2-(2-propanoyloxyethoxy)ethyl]sulfanium;dimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium;dimethyl-[2-oxo-2-(2-propanoyloxyethoxy)ethyl]sulfanium;2-[2-(1,4-oxathian-4-ium-4-yl)acetyl]oxyethyl 2-methylpropanoate;2-[2-(1,4-oxathian-4-ium-4-yl)acetyl]oxyethyl propanoate;2-[2-(thian-1-ium-1-yl)acetyl]oxyethyl 2-methylpropanoate;2-[2-(thian-1-ium-1-yl)acetyl]oxyethyl propanoate;2-[2-(thiolan-1-ium-1-yl)acetyl]oxyethyl 2-methylpropanoate
CID 159235618
butyl 2-methylpropanoate;2-methylpropane
CID 157176975
2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate
CID 521167
6-methoxyhexyl 2-methylpropanoate
CID 135199835
12-hydroxydodecyl 2-methylpropanoate
CID 15120440

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium?
The IUPAC name of dimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium (CID 58780013) is dimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium.
What is the SMILES notation for dimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium?
The canonical SMILES for dimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium is CC(C)C(=O)OCCOC(=O)C[S+](C)C.
What is the InChIKey of dimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium?
The InChIKey is QSRHOIHYUHRGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4S/c1-8(2)10(12)14-6-5-13-9(11)7-15(3)4/h8H,5-7H2,1-4H3/q+1.
What are the key properties of dimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium?
dimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium has a molecular weight of 235.32 g/mol, XLogP of 0.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl]sulfanium is sourced from PubChem (CID 58780013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).