ethyl (5R)-5-hydroxynonanoate

C11H22O3 — CID 118890324

IUPACethyl (5R)-5-hydroxynonanoate
SMILESCCCC[C@@H](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/t10-/m1/s1
InChIKeyOFJPJWHFTKKBPY-SNVBAGLBSA-N
MW202.29 g/mol
LogP2.27
Rot. Bonds8

About ethyl (5R)-5-hydroxynonanoate

ethyl (5R)-5-hydroxynonanoate (PubChem CID 118890324) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is ethyl (5R)-5-hydroxynonanoate.

Molecular Properties

Compound Nameethyl (5R)-5-hydroxynonanoate
PubChem CID118890324
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Nameethyl (5R)-5-hydroxynonanoate
SMILESCCCC[C@@H](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/t10-/m1/s1
InChIKeyOFJPJWHFTKKBPY-SNVBAGLBSA-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

ethyl 5-hydroxyhexadecanoate
CID 171612820
ethyl hexanoate;icosan-9-ol
CID 170307384
ethyl 9-hydroxyhexadecanoate
CID 129223650
diethyl 2-methylhexanedioate
CID 568427
ethyl (6S)-8-chloro-6-hydroxyoctanoate
CID 38989003
3-hydroxyheptyl octanoate
CID 54307243
ethyl (5R)-5-hydroxyoct-7-ynoate
CID 101251677
2-hydroxyhexyl icosanoate
CID 178043502
ethyl (3R,5R)-3,5-dihydroxydecanoate
CID 121009238
ethyl tetradecanoate
CID 89052756
ethyl hexanoate;mercury
CID 174624991
pentakis(ethyl octanoate);hexane
CID 173194775

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-5-hydroxynonanoate?
The IUPAC name of ethyl (5R)-5-hydroxynonanoate (CID 118890324) is ethyl (5R)-5-hydroxynonanoate.
What is the SMILES notation for ethyl (5R)-5-hydroxynonanoate?
The canonical SMILES for ethyl (5R)-5-hydroxynonanoate is CCCC[C@@H](O)CCCC(=O)OCC.
What is the InChIKey of ethyl (5R)-5-hydroxynonanoate?
The InChIKey is OFJPJWHFTKKBPY-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of ethyl (5R)-5-hydroxynonanoate?
ethyl (5R)-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 (5R)-5-hydroxynonanoate is sourced from PubChem (CID 118890324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).