ethyl 5-hydroxynonanoate

C11H22O3 — CID 10954625

IUPACethyl 5-hydroxynonanoate
SMILESCCCCC(O)CCCC(=O)OCC
InChIInChI=1S/C11H22O3/c1-3-5-7-10(12)8-6-9-11(13)14-4-2/h10,12H,3-9H2,1-2H3
InChIKeyOFJPJWHFTKKBPY-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.27
Rot. Bonds8

About ethyl 5-hydroxynonanoate

ethyl 5-hydroxynonanoate (PubChem CID 10954625) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is ethyl 5-hydroxynonanoate.

Molecular Properties

Compound Nameethyl 5-hydroxynonanoate
PubChem CID10954625
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Nameethyl 5-hydroxynonanoate
SMILESCCCCC(O)CCCC(=O)OCC
InChIInChI=1S/C11H22O3/c1-3-5-7-10(12)8-6-9-11(13)14-4-2/h10,12H,3-9H2,1-2H3
InChIKeyOFJPJWHFTKKBPY-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydroxypropyl 5-hydroxydodecanoate
CID 175553
2,3-Dihydroxypropyl 5-hydroxydecanoate
CID 5463954
(+-)-7-Hydroxyoctanoic acid
CID 167627
Methyl 5-hydroxydecanoate
CID 14029718
Ethyl 5-acetoxyoctanoate
CID 118225
Fibronectin
CID 13085557
Ethyl 5-hydroxydecanoate
CID 13580494
9-Hydroxydecanoic acid
CID 4575239
5-Hydroxydecanoate
CID 1824
5-Hydroxydecanoic acid
CID 1825
Isopropyl Hydroxystearate
CID 12715638
11-Hydroxydodecanoic acid
CID 169433

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxynonanoate?
The IUPAC name of ethyl 5-hydroxynonanoate (CID 10954625) is ethyl 5-hydroxynonanoate.
What is the SMILES notation for ethyl 5-hydroxynonanoate?
The canonical SMILES for ethyl 5-hydroxynonanoate is CCCCC(O)CCCC(=O)OCC.
What is the InChIKey of ethyl 5-hydroxynonanoate?
The InChIKey is OFJPJWHFTKKBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-5-7-10(12)8-6-9-11(13)14-4-2/h10,12H,3-9H2,1-2H3.
What are the key properties of ethyl 5-hydroxynonanoate?
ethyl 5-hydroxynonanoate has a molecular weight of 202.29 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxynonanoate is sourced from PubChem (CID 10954625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).