ethyl (2S)-2-hydroxyhexanoate

C8H16O3 — CID 7058147

IUPACethyl (2S)-2-hydroxyhexanoate
SMILESCCCC[C@H](O)C(=O)OCC
InChIInChI=1S/C8H16O3/c1-3-5-6-7(9)8(10)11-4-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyMRYSSTRVUMCKKB-ZETCQYMHSA-N
MW160.21 g/mol
LogP1.10
Rot. Bonds5

About ethyl (2S)-2-hydroxyhexanoate

ethyl (2S)-2-hydroxyhexanoate (PubChem CID 7058147) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is ethyl (2S)-2-hydroxyhexanoate.

Molecular Properties

Compound Nameethyl (2S)-2-hydroxyhexanoate
PubChem CID7058147
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameethyl (2S)-2-hydroxyhexanoate
SMILESCCCC[C@H](O)C(=O)OCC
InChIInChI=1S/C8H16O3/c1-3-5-6-7(9)8(10)11-4-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyMRYSSTRVUMCKKB-ZETCQYMHSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Hydroxycaprylic Acid
CID 94180
2-Hydroxytetradecanoic acid
CID 1563
2-Hydroxydecanoic Acid
CID 21488
Hydroxylauric Acid
CID 97783
Propylene Glycol Monolaurate
CID 14870
Lauryl Lactate
CID 22692
Amyl lactate
CID 101145
Hexyl DL-lactate
CID 519757
2-Hydroxyhexanoic acid
CID 99824
2-Hydroxypropyl heptanoate
CID 97913
Glyceryl Adipate
CID 3015293
Glyceryl Heptanoate
CID 21924355

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-hydroxyhexanoate?
The IUPAC name of ethyl (2S)-2-hydroxyhexanoate (CID 7058147) is ethyl (2S)-2-hydroxyhexanoate.
What is the SMILES notation for ethyl (2S)-2-hydroxyhexanoate?
The canonical SMILES for ethyl (2S)-2-hydroxyhexanoate is CCCC[C@H](O)C(=O)OCC.
What is the InChIKey of ethyl (2S)-2-hydroxyhexanoate?
The InChIKey is MRYSSTRVUMCKKB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-5-6-7(9)8(10)11-4-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of ethyl (2S)-2-hydroxyhexanoate?
ethyl (2S)-2-hydroxyhexanoate has a molecular weight of 160.21 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-hydroxyhexanoate is sourced from PubChem (CID 7058147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).