ethyl 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylsulfonyl]acetate

C10H18O6S — CID 67227738

IUPACethyl 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylsulfonyl]acetate
SMILESCCOC(=O)CS(=O)(=O)CCC1(C)OCCO1
InChIInChI=1S/C10H18O6S/c1-3-14-9(11)8-17(12,13)7-4-10(2)15-5-6-16-10/h3-8H2,1-2H3
InChIKeyAMAGWHBZXYJGFF-UHFFFAOYSA-N
MW266.31 g/mol
LogP0.12
Rot. Bonds6

About ethyl 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylsulfonyl]acetate

ethyl 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylsulfonyl]acetate (PubChem CID 67227738) has the molecular formula C10H18O6S and a molecular weight of 266.31 g/mol. Its IUPAC name is ethyl 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylsulfonyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylsulfonyl]acetate
PubChem CID67227738
Molecular FormulaC10H18O6S
Molecular Weight266.31 g/mol
Exact Mass266.08
IUPAC Nameethyl 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylsulfonyl]acetate
SMILESCCOC(=O)CS(=O)(=O)CCC1(C)OCCO1
InChIInChI=1S/C10H18O6S/c1-3-14-9(11)8-17(12,13)7-4-10(2)15-5-6-16-10/h3-8H2,1-2H3
InChIKeyAMAGWHBZXYJGFF-UHFFFAOYSA-N
XLogP0.12
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylsulfonyl]acetate?
The IUPAC name of ethyl 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylsulfonyl]acetate (CID 67227738) is ethyl 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylsulfonyl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylsulfonyl]acetate?
The canonical SMILES for ethyl 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylsulfonyl]acetate is CCOC(=O)CS(=O)(=O)CCC1(C)OCCO1.
What is the InChIKey of ethyl 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylsulfonyl]acetate?
The InChIKey is AMAGWHBZXYJGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6S/c1-3-14-9(11)8-17(12,13)7-4-10(2)15-5-6-16-10/h3-8H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylsulfonyl]acetate?
ethyl 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylsulfonyl]acetate has a molecular weight of 266.31 g/mol, XLogP of 0.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylsulfonyl]acetate is sourced from PubChem (CID 67227738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).