ethyl 2-hydroxy-3-methylpentanoate

C8H16O3 — CID 13026600

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

About ethyl 2-hydroxy-3-methylpentanoate

ethyl 2-hydroxy-3-methylpentanoate (PubChem CID 13026600) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-methylpentanoate
PubChem CID13026600
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameethyl 2-hydroxy-3-methylpentanoate
SMILESCCOC(=O)C(O)C(C)CC
InChIInChI=1S/C8H16O3/c1-4-6(3)7(9)8(10)11-5-2/h6-7,9H,4-5H2,1-3H3
InChIKeyTXLBCYISDOYPIH-UHFFFAOYSA-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 2-hydroxy-3-methylpentanoate?
The IUPAC name of ethyl 2-hydroxy-3-methylpentanoate (CID 13026600) is ethyl 2-hydroxy-3-methylpentanoate.
What is the SMILES notation for ethyl 2-hydroxy-3-methylpentanoate?
The canonical SMILES for ethyl 2-hydroxy-3-methylpentanoate is CCOC(=O)C(O)C(C)CC.
What is the InChIKey of ethyl 2-hydroxy-3-methylpentanoate?
The InChIKey is TXLBCYISDOYPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-6(3)7(9)8(10)11-5-2/h6-7,9H,4-5H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-3-methylpentanoate?
ethyl 2-hydroxy-3-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 2-hydroxy-3-methylpentanoate is sourced from PubChem (CID 13026600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).