3-ethyl-3-hydroxypentanoic acid

C7H14O3 — CID 11513768

IUPAC3-ethyl-3-hydroxypentanoic acid
SMILESCCC(O)(CC)CC(=O)O
InChIInChI=1S/C7H14O3/c1-3-7(10,4-2)5-6(8)9/h10H,3-5H2,1-2H3,(H,8,9)
InChIKeyQFDBOMUFRUMJQP-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.01
Rot. Bonds4

About 3-ethyl-3-hydroxypentanoic acid

3-ethyl-3-hydroxypentanoic acid (PubChem CID 11513768) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-ethyl-3-hydroxypentanoic acid.

Molecular Properties

Compound Name3-ethyl-3-hydroxypentanoic acid
PubChem CID11513768
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name3-ethyl-3-hydroxypentanoic acid
SMILESCCC(O)(CC)CC(=O)O
InChIInChI=1S/C7H14O3/c1-3-7(10,4-2)5-6(8)9/h10H,3-5H2,1-2H3,(H,8,9)
InChIKeyQFDBOMUFRUMJQP-UHFFFAOYSA-N
XLogP1.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyl-2-hydroxybutanedioic acid
CID 5280519
4-ethyl-4-hydroxyhexanoic acid
CID 18462839
3-ethyl-3-propylhexanoic acid
CID 174620976
bis(3-ethyl-2-hydroxypentane-1,2,3-tricarboxylic acid);propanoic acid
CID 175379209
3-methoxy-3-methylpentanoic acid
CID 105428921
3-hydroxy-3-(2-hydroxyethyl)pentanedioic acid
CID 87313805
3-ethyl-3-(hydroxymethyl)pentanoic acid
CID 18509345
3,3-bis(hydroxymethyl)pentanoic acid
CID 123622659
3-chloro-3-methylpentanoic acid
CID 13378180
(1-carboxy-2-methylpropan-2-yl)azanium
CID 59614741
propanoic acid;dihydrofluoride
CID 173419874
bis(3-ethyl-2-hydroxypentane-1,2,3-tricarboxylic acid);bis(propan-2-ol);zirconium
CID 173047546

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxypentanoic acid?
The IUPAC name of 3-ethyl-3-hydroxypentanoic acid (CID 11513768) is 3-ethyl-3-hydroxypentanoic acid.
What is the SMILES notation for 3-ethyl-3-hydroxypentanoic acid?
The canonical SMILES for 3-ethyl-3-hydroxypentanoic acid is CCC(O)(CC)CC(=O)O.
What is the InChIKey of 3-ethyl-3-hydroxypentanoic acid?
The InChIKey is QFDBOMUFRUMJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-3-7(10,4-2)5-6(8)9/h10H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 3-ethyl-3-hydroxypentanoic acid?
3-ethyl-3-hydroxypentanoic acid has a molecular weight of 146.19 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxypentanoic acid is sourced from PubChem (CID 11513768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).