2-ethyl-5,5-dihydroxypentanoic acid

C7H14O4 — CID 87913218

IUPAC2-ethyl-5,5-dihydroxypentanoic acid
SMILESCCC(CCC(O)O)C(=O)O
InChIInChI=1S/C7H14O4/c1-2-5(7(10)11)3-4-6(8)9/h5-6,8-9H,2-4H2,1H3,(H,10,11)
InChIKeyDVLIWYPJGBMJLK-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.19
Rot. Bonds5

About 2-ethyl-5,5-dihydroxypentanoic acid

2-ethyl-5,5-dihydroxypentanoic acid (PubChem CID 87913218) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-ethyl-5,5-dihydroxypentanoic acid.

Molecular Properties

Compound Name2-ethyl-5,5-dihydroxypentanoic acid
PubChem CID87913218
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Name2-ethyl-5,5-dihydroxypentanoic acid
SMILESCCC(CCC(O)O)C(=O)O
InChIInChI=1S/C7H14O4/c1-2-5(7(10)11)3-4-6(8)9/h5-6,8-9H,2-4H2,1H3,(H,10,11)
InChIKeyDVLIWYPJGBMJLK-UHFFFAOYSA-N
XLogP0.19
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-dihydroxypentanoic acid?
The IUPAC name of 2-ethyl-5,5-dihydroxypentanoic acid (CID 87913218) is 2-ethyl-5,5-dihydroxypentanoic acid.
What is the SMILES notation for 2-ethyl-5,5-dihydroxypentanoic acid?
The canonical SMILES for 2-ethyl-5,5-dihydroxypentanoic acid is CCC(CCC(O)O)C(=O)O.
What is the InChIKey of 2-ethyl-5,5-dihydroxypentanoic acid?
The InChIKey is DVLIWYPJGBMJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-2-5(7(10)11)3-4-6(8)9/h5-6,8-9H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-ethyl-5,5-dihydroxypentanoic acid?
2-ethyl-5,5-dihydroxypentanoic acid has a molecular weight of 162.19 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-dihydroxypentanoic acid is sourced from PubChem (CID 87913218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).