5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid

C12H22O5 — CID 22900782

IUPAC5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid
SMILESCCCC(CC(C)(C)C(=O)OCCO)C(=O)O
InChIInChI=1S/C12H22O5/c1-4-5-9(10(14)15)8-12(2,3)11(16)17-7-6-13/h9,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyJEIIWHUVSFITKU-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.44
Rot. Bonds8

About 5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid

5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid (PubChem CID 22900782) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid.

Molecular Properties

Compound Name5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid
PubChem CID22900782
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid
SMILESCCCC(CC(C)(C)C(=O)OCCO)C(=O)O
InChIInChI=1S/C12H22O5/c1-4-5-9(10(14)15)8-12(2,3)11(16)17-7-6-13/h9,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyJEIIWHUVSFITKU-UHFFFAOYSA-N
XLogP1.44
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl 2-propylhexanoate
CID 58491956
2-hydroxyethyl 2,2-dimethylhexanoate
CID 59773865
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-propylheptanoic acid)
CID 122657779
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(2-propylheptanoic acid)
CID 122657777
5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid
CID 140961640
(2S)-4-(aminodiazenyl)-4-methyl-2-propylpentanoic acid
CID 144957650
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid
CID 15940218
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
1-O-dodecyl 5-O-ethyl 4-ethyl-2,2-dimethylpentanedioate
CID 59893524
1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 5-O-methyl 4-ethyl-2,2-dimethylpentanedioate
CID 22090165
(E)-2-[2-(2-hydroxyethoxy)-2-oxoethyl]dec-6-enoic acid
CID 101278440

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid?
The IUPAC name of 5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid (CID 22900782) is 5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid.
What is the SMILES notation for 5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid?
The canonical SMILES for 5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid is CCCC(CC(C)(C)C(=O)OCCO)C(=O)O.
What is the InChIKey of 5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid?
The InChIKey is JEIIWHUVSFITKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-4-5-9(10(14)15)8-12(2,3)11(16)17-7-6-13/h9,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid?
5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid has a molecular weight of 246.30 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid is sourced from PubChem (CID 22900782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).