1-methoxy-2-(2-methoxyethylsulfonyl)ethane

C6H14O4S — CID 15150067

IUPAC1-methoxy-2-(2-methoxyethylsulfonyl)ethane
SMILESCOCCS(=O)(=O)CCOC
InChIInChI=1S/C6H14O4S/c1-9-3-5-11(7,8)6-4-10-2/h3-6H2,1-2H3
InChIKeyBXRHGJXTOFSMNX-UHFFFAOYSA-N
MW182.24 g/mol
LogP-0.31
Rot. Bonds6

About 1-methoxy-2-(2-methoxyethylsulfonyl)ethane

1-methoxy-2-(2-methoxyethylsulfonyl)ethane (PubChem CID 15150067) has the molecular formula C6H14O4S and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-methoxy-2-(2-methoxyethylsulfonyl)ethane.

Molecular Properties

Compound Name1-methoxy-2-(2-methoxyethylsulfonyl)ethane
PubChem CID15150067
Molecular FormulaC6H14O4S
Molecular Weight182.24 g/mol
Exact Mass182.06
IUPAC Name1-methoxy-2-(2-methoxyethylsulfonyl)ethane
SMILESCOCCS(=O)(=O)CCOC
InChIInChI=1S/C6H14O4S/c1-9-3-5-11(7,8)6-4-10-2/h3-6H2,1-2H3
InChIKeyBXRHGJXTOFSMNX-UHFFFAOYSA-N
XLogP-0.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-methoxyethylsulfonyl)ethane?
The IUPAC name of 1-methoxy-2-(2-methoxyethylsulfonyl)ethane (CID 15150067) is 1-methoxy-2-(2-methoxyethylsulfonyl)ethane.
What is the SMILES notation for 1-methoxy-2-(2-methoxyethylsulfonyl)ethane?
The canonical SMILES for 1-methoxy-2-(2-methoxyethylsulfonyl)ethane is COCCS(=O)(=O)CCOC.
What is the InChIKey of 1-methoxy-2-(2-methoxyethylsulfonyl)ethane?
The InChIKey is BXRHGJXTOFSMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4S/c1-9-3-5-11(7,8)6-4-10-2/h3-6H2,1-2H3.
What are the key properties of 1-methoxy-2-(2-methoxyethylsulfonyl)ethane?
1-methoxy-2-(2-methoxyethylsulfonyl)ethane has a molecular weight of 182.24 g/mol, XLogP of -0.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-methoxyethylsulfonyl)ethane is sourced from PubChem (CID 15150067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).