ethoxy methyl sulfate

C3H8O5S — CID 87240100

IUPACethoxy methyl sulfate
SMILESCCOOS(=O)(=O)OC
InChIInChI=1S/C3H8O5S/c1-3-7-8-9(4,5)6-2/h3H2,1-2H3
InChIKeyBRZKZLWGWQJCFZ-UHFFFAOYSA-N
MW156.16 g/mol
LogP-0.15
Rot. Bonds4

About ethoxy methyl sulfate

ethoxy methyl sulfate (PubChem CID 87240100) has the molecular formula C3H8O5S and a molecular weight of 156.16 g/mol. Its IUPAC name is ethoxy methyl sulfate.

Molecular Properties

Compound Nameethoxy methyl sulfate
PubChem CID87240100
Molecular FormulaC3H8O5S
Molecular Weight156.16 g/mol
Exact Mass156.01
IUPAC Nameethoxy methyl sulfate
SMILESCCOOS(=O)(=O)OC
InChIInChI=1S/C3H8O5S/c1-3-7-8-9(4,5)6-2/h3H2,1-2H3
InChIKeyBRZKZLWGWQJCFZ-UHFFFAOYSA-N
XLogP-0.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

Diethyl Sulfate
CID 6163
Sulfuric acid, dipropyl ester
CID 69015
Sulfuric acid, ethyl methyl ester
CID 69945
Ethyl sulfate anion
CID 3804841
Diethyl sulfate-d10
CID 71309939
Ethyl sulfate;hydron
CID 57448826
Ethoxy sulfuric acid
CID 18469854
Athylschwefelsauremonohydrat
CID 19910537
Ammoniumethylsulphate
CID 21932470
Ethoxysulfate
CID 53855190
Ethyl ethoxy sulfate
CID 88430276
Propoxy ethoxy sulfate
CID 89813375

Frequently Asked Questions

What is the IUPAC name of ethoxy methyl sulfate?
The IUPAC name of ethoxy methyl sulfate (CID 87240100) is ethoxy methyl sulfate.
What is the SMILES notation for ethoxy methyl sulfate?
The canonical SMILES for ethoxy methyl sulfate is CCOOS(=O)(=O)OC.
What is the InChIKey of ethoxy methyl sulfate?
The InChIKey is BRZKZLWGWQJCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O5S/c1-3-7-8-9(4,5)6-2/h3H2,1-2H3.
What are the key properties of ethoxy methyl sulfate?
ethoxy methyl sulfate has a molecular weight of 156.16 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy methyl sulfate is sourced from PubChem (CID 87240100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).