ethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate

C10H16O7S — CID 103485795

IUPACethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CS(=O)(=O)CC(=O)OC
InChIInChI=1S/C10H16O7S/c1-3-17-9(12)5-4-8(11)6-18(14,15)7-10(13)16-2/h3-7H2,1-2H3
InChIKeyYQJVNXTWTBCKOO-UHFFFAOYSA-N
MW280.30 g/mol
LogP-0.51
Rot. Bonds8

About ethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate

ethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate (PubChem CID 103485795) has the molecular formula C10H16O7S and a molecular weight of 280.30 g/mol. Its IUPAC name is ethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate
PubChem CID103485795
Molecular FormulaC10H16O7S
Molecular Weight280.30 g/mol
Exact Mass280.06
IUPAC Nameethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CS(=O)(=O)CC(=O)OC
InChIInChI=1S/C10H16O7S/c1-3-17-9(12)5-4-8(11)6-18(14,15)7-10(13)16-2/h3-7H2,1-2H3
InChIKeyYQJVNXTWTBCKOO-UHFFFAOYSA-N
XLogP-0.51
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate?
The IUPAC name of ethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate (CID 103485795) is ethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate?
The canonical SMILES for ethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate is CCOC(=O)CCC(=O)CS(=O)(=O)CC(=O)OC.
What is the InChIKey of ethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate?
The InChIKey is YQJVNXTWTBCKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O7S/c1-3-17-9(12)5-4-8(11)6-18(14,15)7-10(13)16-2/h3-7H2,1-2H3.
What are the key properties of ethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate?
ethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate has a molecular weight of 280.30 g/mol, XLogP of -0.51, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate is sourced from PubChem (CID 103485795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).