ethyl 2-ethyl-3-hydroxy-5-methylsulfanylpentanoate

C10H20O3S — CID 62393324

IUPACethyl 2-ethyl-3-hydroxy-5-methylsulfanylpentanoate
SMILESCCOC(=O)C(CC)C(O)CCSC
InChIInChI=1S/C10H20O3S/c1-4-8(10(12)13-5-2)9(11)6-7-14-3/h8-9,11H,4-7H2,1-3H3
InChIKeyWDIMOZXNQCIABD-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.69
Rot. Bonds7

About ethyl 2-ethyl-3-hydroxy-5-methylsulfanylpentanoate

ethyl 2-ethyl-3-hydroxy-5-methylsulfanylpentanoate (PubChem CID 62393324) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is ethyl 2-ethyl-3-hydroxy-5-methylsulfanylpentanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-3-hydroxy-5-methylsulfanylpentanoate
PubChem CID62393324
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Nameethyl 2-ethyl-3-hydroxy-5-methylsulfanylpentanoate
SMILESCCOC(=O)C(CC)C(O)CCSC
InChIInChI=1S/C10H20O3S/c1-4-8(10(12)13-5-2)9(11)6-7-14-3/h8-9,11H,4-7H2,1-3H3
InChIKeyWDIMOZXNQCIABD-UHFFFAOYSA-N
XLogP1.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-3-hydroxy-5-methylsulfanylpentanoate?
The IUPAC name of ethyl 2-ethyl-3-hydroxy-5-methylsulfanylpentanoate (CID 62393324) is ethyl 2-ethyl-3-hydroxy-5-methylsulfanylpentanoate.
What is the SMILES notation for ethyl 2-ethyl-3-hydroxy-5-methylsulfanylpentanoate?
The canonical SMILES for ethyl 2-ethyl-3-hydroxy-5-methylsulfanylpentanoate is CCOC(=O)C(CC)C(O)CCSC.
What is the InChIKey of ethyl 2-ethyl-3-hydroxy-5-methylsulfanylpentanoate?
The InChIKey is WDIMOZXNQCIABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-4-8(10(12)13-5-2)9(11)6-7-14-3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of ethyl 2-ethyl-3-hydroxy-5-methylsulfanylpentanoate?
ethyl 2-ethyl-3-hydroxy-5-methylsulfanylpentanoate has a molecular weight of 220.33 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-3-hydroxy-5-methylsulfanylpentanoate is sourced from PubChem (CID 62393324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).