ethyl (2S)-2-hydroxy-4-methylpentanoate

C8H16O3 — CID 13237362

IUPACethyl (2S)-2-hydroxy-4-methylpentanoate
SMILESCCOC(=O)[C@@H](O)CC(C)C
InChIInChI=1S/C8H16O3/c1-4-11-8(10)7(9)5-6(2)3/h6-7,9H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyQRHOWVDPHIXNEN-ZETCQYMHSA-N
MW160.21 g/mol
LogP0.96
Rot. Bonds4

About ethyl (2S)-2-hydroxy-4-methylpentanoate

ethyl (2S)-2-hydroxy-4-methylpentanoate (PubChem CID 13237362) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is ethyl (2S)-2-hydroxy-4-methylpentanoate.

Molecular Properties

Compound Nameethyl (2S)-2-hydroxy-4-methylpentanoate
PubChem CID13237362
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameethyl (2S)-2-hydroxy-4-methylpentanoate
SMILESCCOC(=O)[C@@H](O)CC(C)C
InChIInChI=1S/C8H16O3/c1-4-11-8(10)7(9)5-6(2)3/h6-7,9H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyQRHOWVDPHIXNEN-ZETCQYMHSA-N
XLogP0.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 ethyl (2S)-2-hydroxy-4-methylpentanoate?
The IUPAC name of ethyl (2S)-2-hydroxy-4-methylpentanoate (CID 13237362) is ethyl (2S)-2-hydroxy-4-methylpentanoate.
What is the SMILES notation for ethyl (2S)-2-hydroxy-4-methylpentanoate?
The canonical SMILES for ethyl (2S)-2-hydroxy-4-methylpentanoate is CCOC(=O)[C@@H](O)CC(C)C.
What is the InChIKey of ethyl (2S)-2-hydroxy-4-methylpentanoate?
The InChIKey is QRHOWVDPHIXNEN-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-11-8(10)7(9)5-6(2)3/h6-7,9H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of ethyl (2S)-2-hydroxy-4-methylpentanoate?
ethyl (2S)-2-hydroxy-4-methylpentanoate has a molecular weight of 160.21 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-hydroxy-4-methylpentanoate is sourced from PubChem (CID 13237362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).