ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate

C11H18O5S — CID 103485688

IUPACethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CSCC(=O)OCC
InChIInChI=1S/C11H18O5S/c1-3-15-10(13)6-5-9(12)7-17-8-11(14)16-4-2/h3-8H2,1-2H3
InChIKeyMDSRILGFJPDHSU-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.20
Rot. Bonds9

About ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate

ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate (PubChem CID 103485688) has the molecular formula C11H18O5S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate
PubChem CID103485688
Molecular FormulaC11H18O5S
Molecular Weight262.33 g/mol
Exact Mass262.09
IUPAC Nameethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CSCC(=O)OCC
InChIInChI=1S/C11H18O5S/c1-3-15-10(13)6-5-9(12)7-17-8-11(14)16-4-2/h3-8H2,1-2H3
InChIKeyMDSRILGFJPDHSU-UHFFFAOYSA-N
XLogP1.20
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3-bromo-2-oxopropyl)sulfanylacetate
CID 58875079
ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate
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ethyl 6-ethylsulfanyl-4-oxohexanoate
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ethyl 2-[3-(2-ethoxy-2-oxoethyl)sulfanylpropylsulfanyl]acetate
CID 121219812
ethyl 5-(furan-2-ylmethylsulfanyl)-4-oxopentanoate
CID 103485680
[1-amino-2-(2-ethoxy-2-oxoethyl)sulfanylethylidene]azanium chloride
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ethyl 4-oxo-5-(oxolan-2-ylmethylsulfanyl)pentanoate
CID 106495060
ethyl 2-(2-hydroxyethylsulfanyl)acetate
CID 11030166
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 4-oxo-7-(trifluoromethylsulfanyl)heptanoate
CID 116627027
ethyl 5-(3-chlorophenyl)sulfanyl-4-oxopentanoate
CID 66323393
ethyl 6-methyl-4-oxohept-6-enoate
CID 15103077

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate?
The IUPAC name of ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate (CID 103485688) is ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate?
The canonical SMILES for ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate is CCOC(=O)CCC(=O)CSCC(=O)OCC.
What is the InChIKey of ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate?
The InChIKey is MDSRILGFJPDHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5S/c1-3-15-10(13)6-5-9(12)7-17-8-11(14)16-4-2/h3-8H2,1-2H3.
What are the key properties of ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate?
ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate has a molecular weight of 262.33 g/mol, XLogP of 1.20, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate is sourced from PubChem (CID 103485688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).