3-ethyl-5,5-dihydroxypentanoic acid

C7H14O4 — CID 87920212

IUPAC3-ethyl-5,5-dihydroxypentanoic acid
SMILESCCC(CC(=O)O)CC(O)O
InChIInChI=1S/C7H14O4/c1-2-5(3-6(8)9)4-7(10)11/h5-6,8-9H,2-4H2,1H3,(H,10,11)
InChIKeyVMEUHSSSYOCJBA-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.19
Rot. Bonds5

About 3-ethyl-5,5-dihydroxypentanoic acid

3-ethyl-5,5-dihydroxypentanoic acid (PubChem CID 87920212) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-ethyl-5,5-dihydroxypentanoic acid.

Molecular Properties

Compound Name3-ethyl-5,5-dihydroxypentanoic acid
PubChem CID87920212
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Name3-ethyl-5,5-dihydroxypentanoic acid
SMILESCCC(CC(=O)O)CC(O)O
InChIInChI=1S/C7H14O4/c1-2-5(3-6(8)9)4-7(10)11/h5-6,8-9H,2-4H2,1H3,(H,10,11)
InChIKeyVMEUHSSSYOCJBA-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 3-ethyl-5,5-dihydroxypentanoic acid?
The IUPAC name of 3-ethyl-5,5-dihydroxypentanoic acid (CID 87920212) is 3-ethyl-5,5-dihydroxypentanoic acid.
What is the SMILES notation for 3-ethyl-5,5-dihydroxypentanoic acid?
The canonical SMILES for 3-ethyl-5,5-dihydroxypentanoic acid is CCC(CC(=O)O)CC(O)O.
What is the InChIKey of 3-ethyl-5,5-dihydroxypentanoic acid?
The InChIKey is VMEUHSSSYOCJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-2-5(3-6(8)9)4-7(10)11/h5-6,8-9H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-ethyl-5,5-dihydroxypentanoic acid?
3-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 3-ethyl-5,5-dihydroxypentanoic acid is sourced from PubChem (CID 87920212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).