carbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate

C9H18O6S — CID 162136782

IUPACcarbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate
SMILESCCOCC1CCC(COS(=O)(=O)[O-])O1.[CH3+]
InChIInChI=1S/C8H16O6S.CH3/c1-2-12-5-7-3-4-8(14-7)6-13-15(9,10)11;/h7-8H,2-6H2,1H3,(H,9,10,11);1H3/q;+1/p-1
InChIKeyZJJYONWXMWRKMH-UHFFFAOYSA-M
MW254.30 g/mol
LogP0.50
Rot. Bonds6

About carbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate

carbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate (PubChem CID 162136782) has the molecular formula C9H18O6S and a molecular weight of 254.30 g/mol. Its IUPAC name is carbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate.

Molecular Properties

Compound Namecarbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate
PubChem CID162136782
Molecular FormulaC9H18O6S
Molecular Weight254.30 g/mol
Exact Mass254.08
IUPAC Namecarbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate
SMILESCCOCC1CCC(COS(=O)(=O)[O-])O1.[CH3+]
InChIInChI=1S/C8H16O6S.CH3/c1-2-12-5-7-3-4-8(14-7)6-13-15(9,10)11;/h7-8H,2-6H2,1H3,(H,9,10,11);1H3/q;+1/p-1
InChIKeyZJJYONWXMWRKMH-UHFFFAOYSA-M
XLogP0.50
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze carbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate 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

N-[[5-(ethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62444292
2-ethyl-5-[(5-ethyloxolan-2-yl)methoxymethyl]oxolane
CID 164901003
[(2S,5R)-5-(dodecoxymethyl)oxolan-2-yl]methyl trifluoromethanesulfonate
CID 118172971
ethyl sulfate;yttrium(3+)
CID 57361497
dysprosium(3+);ethyl sulfate
CID 57346753
cadmium(2+);ethyl sulfate
CID 57361489
ethyl sulfate;thulium(3+)
CID 25022214
[(4S,6S)-6-methyl-4,5-disulfonatooxyoxan-2-yl]methyl sulfate
CID 59920816
[(4R,6R)-6-methyl-4,5-disulfonatooxyoxan-2-yl]methyl sulfate
CID 90862674
N-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62446409
methanesulfonate;[(2S,5S)-5-(methylsulfonyloxymethyl)oxolan-2-yl]methyl-triphenylphosphanium
CID 158290284
[(2R)-4-hydroxyoxan-2-yl]methyl sulfate
CID 59456784

Frequently Asked Questions

What is the IUPAC name of carbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate?
The IUPAC name of carbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate (CID 162136782) is carbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate.
What is the SMILES notation for carbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate?
The canonical SMILES for carbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate is CCOCC1CCC(COS(=O)(=O)[O-])O1.[CH3+].
What is the InChIKey of carbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate?
The InChIKey is ZJJYONWXMWRKMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16O6S.CH3/c1-2-12-5-7-3-4-8(14-7)6-13-15(9,10)11;/h7-8H,2-6H2,1H3,(H,9,10,11);1H3/q;+1/p-1.
What are the key properties of carbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate?
carbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate has a molecular weight of 254.30 g/mol, XLogP of 0.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbanylium;[5-(ethoxymethyl)oxolan-2-yl]methyl sulfate is sourced from PubChem (CID 162136782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).