2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate

C8H18O8S2 — CID 11077635

IUPAC2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCOCCOS(C)(=O)=O
InChIInChI=1S/C8H18O8S2/c1-17(9,10)15-7-5-13-3-4-14-6-8-16-18(2,11)12/h3-8H2,1-2H3
InChIKeyMPXIHGYFUPBCPK-UHFFFAOYSA-N
MW306.36 g/mol
LogP-1.03
Rot. Bonds11

About 2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate

2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate (PubChem CID 11077635) has the molecular formula C8H18O8S2 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate
PubChem CID11077635
Molecular FormulaC8H18O8S2
Molecular Weight306.36 g/mol
Exact Mass306.04
IUPAC Name2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCOCCOS(C)(=O)=O
InChIInChI=1S/C8H18O8S2/c1-17(9,10)15-7-5-13-3-4-14-6-8-16-18(2,11)12/h3-8H2,1-2H3
InChIKeyMPXIHGYFUPBCPK-UHFFFAOYSA-N
XLogP-1.03
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate 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

Diethylene Glycol Dimethanesulfonate
CID 147571
2-(2-Methoxyethoxy)ethyl methanesulfonate
CID 3815654
2-(2-(2-(2-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethyl methanesulfonate
CID 21930814
2-(2-(2-Methoxyethoxy)ethoxy)ethyl methanesulfonate
CID 12621272
2,5,8,11-Tetraoxatridecan-13-ol, 13-methanesulfonate
CID 14763679
2-Ethoxyethyl methanesulfonate
CID 15067105
O,O'-(((Oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl)) dimethanesulfonothioate
CID 22174344
3,6-Dioxaoctane-1,8-diyl bismethanethiosulfonate
CID 57375736
2-[2-[2-[2-[2-(Trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 118110418
3,6,9,12-Tetraoxatetradecane-1,14-diyl dimethanesulfonate
CID 13642703
[(2R)-1-[(2R)-2-methylsulfonyloxypropoxy]propan-2-yl] methanesulfonate
CID 166437846
Methanesulfonamide: 18-crown-6
CID 168346174

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate?
The IUPAC name of 2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate (CID 11077635) is 2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate.
What is the SMILES notation for 2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate?
The canonical SMILES for 2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate is CS(=O)(=O)OCCOCCOCCOS(C)(=O)=O.
What is the InChIKey of 2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate?
The InChIKey is MPXIHGYFUPBCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O8S2/c1-17(9,10)15-7-5-13-3-4-14-6-8-16-18(2,11)12/h3-8H2,1-2H3.
What are the key properties of 2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate?
2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate has a molecular weight of 306.36 g/mol, XLogP of -1.03, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate is sourced from PubChem (CID 11077635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).