2-(2-methoxyethoxy)ethyl methanesulfonate

C6H14O5S — CID 3815654

IUPAC2-(2-methoxyethoxy)ethyl methanesulfonate
SMILESCOCCOCCOS(C)(=O)=O
InChIInChI=1S/C6H14O5S/c1-9-3-4-10-5-6-11-12(2,7)8/h3-6H2,1-2H3
InChIKeyFCHYIMQJCGYDPR-UHFFFAOYSA-N
MW198.24 g/mol
LogP-0.37
Rot. Bonds7

About 2-(2-methoxyethoxy)ethyl methanesulfonate

2-(2-methoxyethoxy)ethyl methanesulfonate (PubChem CID 3815654) has the molecular formula C6H14O5S and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl methanesulfonate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl methanesulfonate
PubChem CID3815654
Molecular FormulaC6H14O5S
Molecular Weight198.24 g/mol
Exact Mass198.06
IUPAC Name2-(2-methoxyethoxy)ethyl methanesulfonate
SMILESCOCCOCCOS(C)(=O)=O
InChIInChI=1S/C6H14O5S/c1-9-3-4-10-5-6-11-12(2,7)8/h3-6H2,1-2H3
InChIKeyFCHYIMQJCGYDPR-UHFFFAOYSA-N
XLogP-0.37
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate
CID 172605839
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045111
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045107
2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 59816255
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
3-methoxypropyl methanesulfonate
CID 11693963
sodium 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl sulfate
CID 20775345
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
methanesulfonyl chloride;2-methoxyethanol;2-methoxyethyl methanesulfonate
CID 157421302
(8-methoxy-3,6-dioxooctyl) methanesulfonate
CID 87785551

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl methanesulfonate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl methanesulfonate (CID 3815654) is 2-(2-methoxyethoxy)ethyl methanesulfonate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl methanesulfonate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl methanesulfonate is COCCOCCOS(C)(=O)=O.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl methanesulfonate?
The InChIKey is FCHYIMQJCGYDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5S/c1-9-3-4-10-5-6-11-12(2,7)8/h3-6H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl methanesulfonate?
2-(2-methoxyethoxy)ethyl methanesulfonate has a molecular weight of 198.24 g/mol, XLogP of -0.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl methanesulfonate is sourced from PubChem (CID 3815654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).