3-ethyl-3-(hydroxymethyl)pentanoic acid

C8H16O3 — CID 18509345

IUPAC3-ethyl-3-(hydroxymethyl)pentanoic acid
SMILESCCC(CC)(CO)CC(=O)O
InChIInChI=1S/C8H16O3/c1-3-8(4-2,6-9)5-7(10)11/h9H,3-6H2,1-2H3,(H,10,11)
InChIKeyPYXVOXIWLZYYRU-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.26
Rot. Bonds5

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

3-ethyl-3-(hydroxymethyl)pentanoic acid (PubChem CID 18509345) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-ethyl-3-(hydroxymethyl)pentanoic acid.

Molecular Properties

Compound Name3-ethyl-3-(hydroxymethyl)pentanoic acid
PubChem CID18509345
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-ethyl-3-(hydroxymethyl)pentanoic acid
SMILESCCC(CC)(CO)CC(=O)O
InChIInChI=1S/C8H16O3/c1-3-8(4-2,6-9)5-7(10)11/h9H,3-6H2,1-2H3,(H,10,11)
InChIKeyPYXVOXIWLZYYRU-UHFFFAOYSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-bis(hydroxymethyl)pentanoic acid
CID 123622659
3,3-bis(hydroxymethyl)pentanedioic acid
CID 19985419
acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 71338644
3-ethyl-3-propylhexanoic acid
CID 174620976
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;nonanedioic acid
CID 158561574
(E)-but-2-enedioic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 21315665
3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentanedioic acid
CID 89274364
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-[2-[2-[(3,4-dicarboxy-3-hydroxybutanoyl)oxymethyl]-2-(hydroxymethyl)butoxy]-2-oxoethyl]-2-hydroxybutanedioic acid
CID 87105301
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tris(3-sulfonylpropanoic acid)
CID 157350306
docosanoic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;octanedioic acid
CID 159164096

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(hydroxymethyl)pentanoic acid?
The IUPAC name of 3-ethyl-3-(hydroxymethyl)pentanoic acid (CID 18509345) is 3-ethyl-3-(hydroxymethyl)pentanoic acid.
What is the SMILES notation for 3-ethyl-3-(hydroxymethyl)pentanoic acid?
The canonical SMILES for 3-ethyl-3-(hydroxymethyl)pentanoic acid is CCC(CC)(CO)CC(=O)O.
What is the InChIKey of 3-ethyl-3-(hydroxymethyl)pentanoic acid?
The InChIKey is PYXVOXIWLZYYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-8(4-2,6-9)5-7(10)11/h9H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 3-ethyl-3-(hydroxymethyl)pentanoic acid?
3-ethyl-3-(hydroxymethyl)pentanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(hydroxymethyl)pentanoic acid is sourced from PubChem (CID 18509345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).