ethyl 5-butylsulfonyl-4-oxopentanoate

C11H20O5S — CID 103485793

IUPACethyl 5-butylsulfonyl-4-oxopentanoate
SMILESCCCCS(=O)(=O)CC(=O)CCC(=O)OCC
InChIInChI=1S/C11H20O5S/c1-3-5-8-17(14,15)9-10(12)6-7-11(13)16-4-2/h3-9H2,1-2H3
InChIKeySDRLAEVKNQTCCV-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.11
Rot. Bonds9

About ethyl 5-butylsulfonyl-4-oxopentanoate

ethyl 5-butylsulfonyl-4-oxopentanoate (PubChem CID 103485793) has the molecular formula C11H20O5S and a molecular weight of 264.34 g/mol. Its IUPAC name is ethyl 5-butylsulfonyl-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-butylsulfonyl-4-oxopentanoate
PubChem CID103485793
Molecular FormulaC11H20O5S
Molecular Weight264.34 g/mol
Exact Mass264.10
IUPAC Nameethyl 5-butylsulfonyl-4-oxopentanoate
SMILESCCCCS(=O)(=O)CC(=O)CCC(=O)OCC
InChIInChI=1S/C11H20O5S/c1-3-5-8-17(14,15)9-10(12)6-7-11(13)16-4-2/h3-9H2,1-2H3
InChIKeySDRLAEVKNQTCCV-UHFFFAOYSA-N
XLogP1.11
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-butylsulfonylpropanoate
CID 42647324
ethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate
CID 103485795
ethyl 2-dodecylsulfonylacetate
CID 71568625
ethyl 2-propylsulfonylacetate
CID 21245347
ethyl 2-(3-chloropropylsulfonyl)acetate
CID 14839457
ethyl 4-(3-methoxy-3-oxopropyl)sulfonyl-3-oxobutanoate
CID 64636908
4-ethoxy-4-oxobutanoic acid;hexane
CID 87078954
ethyl hexanoate;rhodium
CID 87383837
ethyl hexanoate;mercury
CID 174624991
ethyl hexanoate;tungsten
CID 175314088
ethyl undecanoate
CID 12327
ethyl hexanoate;gallane
CID 174708288

Frequently Asked Questions

What is the IUPAC name of ethyl 5-butylsulfonyl-4-oxopentanoate?
The IUPAC name of ethyl 5-butylsulfonyl-4-oxopentanoate (CID 103485793) is ethyl 5-butylsulfonyl-4-oxopentanoate.
What is the SMILES notation for ethyl 5-butylsulfonyl-4-oxopentanoate?
The canonical SMILES for ethyl 5-butylsulfonyl-4-oxopentanoate is CCCCS(=O)(=O)CC(=O)CCC(=O)OCC.
What is the InChIKey of ethyl 5-butylsulfonyl-4-oxopentanoate?
The InChIKey is SDRLAEVKNQTCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5S/c1-3-5-8-17(14,15)9-10(12)6-7-11(13)16-4-2/h3-9H2,1-2H3.
What are the key properties of ethyl 5-butylsulfonyl-4-oxopentanoate?
ethyl 5-butylsulfonyl-4-oxopentanoate has a molecular weight of 264.34 g/mol, XLogP of 1.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-butylsulfonyl-4-oxopentanoate is sourced from PubChem (CID 103485793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).