methyl 2-ethyl-5-hydroxypentanoate

C8H16O3 — CID 14380639

IUPACmethyl 2-ethyl-5-hydroxypentanoate
SMILESCCC(CCCO)C(=O)OC
InChIInChI=1S/C8H16O3/c1-3-7(5-4-6-9)8(10)11-2/h7,9H,3-6H2,1-2H3
InChIKeyCOSDTCJSARJHLW-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.96
Rot. Bonds5

About methyl 2-ethyl-5-hydroxypentanoate

methyl 2-ethyl-5-hydroxypentanoate (PubChem CID 14380639) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is methyl 2-ethyl-5-hydroxypentanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-5-hydroxypentanoate
PubChem CID14380639
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Namemethyl 2-ethyl-5-hydroxypentanoate
SMILESCCC(CCCO)C(=O)OC
InChIInChI=1S/C8H16O3/c1-3-7(5-4-6-9)8(10)11-2/h7,9H,3-6H2,1-2H3
InChIKeyCOSDTCJSARJHLW-UHFFFAOYSA-N
XLogP0.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5-hydroxypentanoate?
The IUPAC name of methyl 2-ethyl-5-hydroxypentanoate (CID 14380639) is methyl 2-ethyl-5-hydroxypentanoate.
What is the SMILES notation for methyl 2-ethyl-5-hydroxypentanoate?
The canonical SMILES for methyl 2-ethyl-5-hydroxypentanoate is CCC(CCCO)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-5-hydroxypentanoate?
The InChIKey is COSDTCJSARJHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-7(5-4-6-9)8(10)11-2/h7,9H,3-6H2,1-2H3.
What are the key properties of methyl 2-ethyl-5-hydroxypentanoate?
methyl 2-ethyl-5-hydroxypentanoate has a molecular weight of 160.21 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5-hydroxypentanoate is sourced from PubChem (CID 14380639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).