2-ethyl-3-hydroxy-2-(hydroxymethyl)pentanoic acid

C8H16O4 — CID 57219693

IUPAC2-ethyl-3-hydroxy-2-(hydroxymethyl)pentanoic acid
SMILESCCC(O)C(CC)(CO)C(=O)O
InChIInChI=1S/C8H16O4/c1-3-6(10)8(4-2,5-9)7(11)12/h6,9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyVWNNTYBGDZUDBL-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.23
Rot. Bonds5

About 2-ethyl-3-hydroxy-2-(hydroxymethyl)pentanoic acid

2-ethyl-3-hydroxy-2-(hydroxymethyl)pentanoic acid (PubChem CID 57219693) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-2-(hydroxymethyl)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-2-(hydroxymethyl)pentanoic acid
PubChem CID57219693
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-ethyl-3-hydroxy-2-(hydroxymethyl)pentanoic acid
SMILESCCC(O)C(CC)(CO)C(=O)O
InChIInChI=1S/C8H16O4/c1-3-6(10)8(4-2,5-9)7(11)12/h6,9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyVWNNTYBGDZUDBL-UHFFFAOYSA-N
XLogP0.23
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-2-(hydroxymethyl)pentanoic acid?
The IUPAC name of 2-ethyl-3-hydroxy-2-(hydroxymethyl)pentanoic acid (CID 57219693) is 2-ethyl-3-hydroxy-2-(hydroxymethyl)pentanoic acid.
What is the SMILES notation for 2-ethyl-3-hydroxy-2-(hydroxymethyl)pentanoic acid?
The canonical SMILES for 2-ethyl-3-hydroxy-2-(hydroxymethyl)pentanoic acid is CCC(O)C(CC)(CO)C(=O)O.
What is the InChIKey of 2-ethyl-3-hydroxy-2-(hydroxymethyl)pentanoic acid?
The InChIKey is VWNNTYBGDZUDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-3-6(10)8(4-2,5-9)7(11)12/h6,9-10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-ethyl-3-hydroxy-2-(hydroxymethyl)pentanoic acid?
2-ethyl-3-hydroxy-2-(hydroxymethyl)pentanoic acid has a molecular weight of 176.21 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-2-(hydroxymethyl)pentanoic acid is sourced from PubChem (CID 57219693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).