1-methoxy-2-(2-methoxyethylsulfonylmethoxymethylsulfonyl)ethane

C8H18O7S2 — CID 91704070

IUPAC1-methoxy-2-(2-methoxyethylsulfonylmethoxymethylsulfonyl)ethane
SMILESCOCCS(=O)(=O)COCS(=O)(=O)CCOC
InChIInChI=1S/C8H18O7S2/c1-13-3-5-16(9,10)7-15-8-17(11,12)6-4-14-2/h3-8H2,1-2H3
InChIKeyFABSRCIDBNGCQW-UHFFFAOYSA-N
MW290.36 g/mol
LogP-0.96
Rot. Bonds10

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

1-methoxy-2-(2-methoxyethylsulfonylmethoxymethylsulfonyl)ethane (PubChem CID 91704070) has the molecular formula C8H18O7S2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-methoxy-2-(2-methoxyethylsulfonylmethoxymethylsulfonyl)ethane.

Molecular Properties

Compound Name1-methoxy-2-(2-methoxyethylsulfonylmethoxymethylsulfonyl)ethane
PubChem CID91704070
Molecular FormulaC8H18O7S2
Molecular Weight290.36 g/mol
Exact Mass290.05
IUPAC Name1-methoxy-2-(2-methoxyethylsulfonylmethoxymethylsulfonyl)ethane
SMILESCOCCS(=O)(=O)COCS(=O)(=O)CCOC
InChIInChI=1S/C8H18O7S2/c1-13-3-5-16(9,10)7-15-8-17(11,12)6-4-14-2/h3-8H2,1-2H3
InChIKeyFABSRCIDBNGCQW-UHFFFAOYSA-N
XLogP-0.96
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-methoxyethylsulfonylmethoxymethylsulfonyl)ethane?
The IUPAC name of 1-methoxy-2-(2-methoxyethylsulfonylmethoxymethylsulfonyl)ethane (CID 91704070) is 1-methoxy-2-(2-methoxyethylsulfonylmethoxymethylsulfonyl)ethane.
What is the SMILES notation for 1-methoxy-2-(2-methoxyethylsulfonylmethoxymethylsulfonyl)ethane?
The canonical SMILES for 1-methoxy-2-(2-methoxyethylsulfonylmethoxymethylsulfonyl)ethane is COCCS(=O)(=O)COCS(=O)(=O)CCOC.
What is the InChIKey of 1-methoxy-2-(2-methoxyethylsulfonylmethoxymethylsulfonyl)ethane?
The InChIKey is FABSRCIDBNGCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O7S2/c1-13-3-5-16(9,10)7-15-8-17(11,12)6-4-14-2/h3-8H2,1-2H3.
What are the key properties of 1-methoxy-2-(2-methoxyethylsulfonylmethoxymethylsulfonyl)ethane?
1-methoxy-2-(2-methoxyethylsulfonylmethoxymethylsulfonyl)ethane has a molecular weight of 290.36 g/mol, XLogP of -0.96, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-methoxyethylsulfonylmethoxymethylsulfonyl)ethane is sourced from PubChem (CID 91704070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).