ethyl 5-hydroxyoctanoate

C10H20O3 — CID 6432923

IUPACethyl 5-hydroxyoctanoate
SMILESCCCC(O)CCCC(=O)OCC
InChIInChI=1S/C10H20O3/c1-3-6-9(11)7-5-8-10(12)13-4-2/h9,11H,3-8H2,1-2H3
InChIKeyGIFGDAGRKYHDLN-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.88
Rot. Bonds7

About ethyl 5-hydroxyoctanoate

ethyl 5-hydroxyoctanoate (PubChem CID 6432923) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethyl 5-hydroxyoctanoate.

Molecular Properties

Compound Nameethyl 5-hydroxyoctanoate
PubChem CID6432923
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nameethyl 5-hydroxyoctanoate
SMILESCCCC(O)CCCC(=O)OCC
InChIInChI=1S/C10H20O3/c1-3-6-9(11)7-5-8-10(12)13-4-2/h9,11H,3-8H2,1-2H3
InChIKeyGIFGDAGRKYHDLN-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxyoctanoate?
The IUPAC name of ethyl 5-hydroxyoctanoate (CID 6432923) is ethyl 5-hydroxyoctanoate.
What is the SMILES notation for ethyl 5-hydroxyoctanoate?
The canonical SMILES for ethyl 5-hydroxyoctanoate is CCCC(O)CCCC(=O)OCC.
What is the InChIKey of ethyl 5-hydroxyoctanoate?
The InChIKey is GIFGDAGRKYHDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-6-9(11)7-5-8-10(12)13-4-2/h9,11H,3-8H2,1-2H3.
What are the key properties of ethyl 5-hydroxyoctanoate?
ethyl 5-hydroxyoctanoate has a molecular weight of 188.27 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxyoctanoate is sourced from PubChem (CID 6432923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).