ethyl 3-hydroxy-4-methylpentanoate

C8H16O3 — CID 551507

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

About ethyl 3-hydroxy-4-methylpentanoate

ethyl 3-hydroxy-4-methylpentanoate (PubChem CID 551507) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-methylpentanoate
PubChem CID551507
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameethyl 3-hydroxy-4-methylpentanoate
SMILESCCOC(=O)CC(O)C(C)C
InChIInChI=1S/C8H16O3/c1-4-11-8(10)5-7(9)6(2)3/h6-7,9H,4-5H2,1-3H3
InChIKeyODYXCJVPPHSSIG-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 3-hydroxy-4-methylpentanoate?
The IUPAC name of ethyl 3-hydroxy-4-methylpentanoate (CID 551507) is ethyl 3-hydroxy-4-methylpentanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-methylpentanoate?
The canonical SMILES for ethyl 3-hydroxy-4-methylpentanoate is CCOC(=O)CC(O)C(C)C.
What is the InChIKey of ethyl 3-hydroxy-4-methylpentanoate?
The InChIKey is ODYXCJVPPHSSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-11-8(10)5-7(9)6(2)3/h6-7,9H,4-5H2,1-3H3.
What are the key properties of ethyl 3-hydroxy-4-methylpentanoate?
ethyl 3-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 3-hydroxy-4-methylpentanoate is sourced from PubChem (CID 551507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).