[4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid

C11H23O5P — CID 87190737

IUPAC[4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid
SMILESCCCP(=O)(O)C(C)C(C)C(=O)OCC(C)O
InChIInChI=1S/C11H23O5P/c1-5-6-17(14,15)10(4)9(3)11(13)16-7-8(2)12/h8-10,12H,5-7H2,1-4H3,(H,14,15)
InChIKeyNIJUGGROEQZELF-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.62
Rot. Bonds7

About [4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid

[4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid (PubChem CID 87190737) has the molecular formula C11H23O5P and a molecular weight of 266.27 g/mol. Its IUPAC name is [4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid.

Molecular Properties

Compound Name[4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid
PubChem CID87190737
Molecular FormulaC11H23O5P
Molecular Weight266.27 g/mol
Exact Mass266.13
IUPAC Name[4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid
SMILESCCCP(=O)(O)C(C)C(C)C(=O)OCC(C)O
InChIInChI=1S/C11H23O5P/c1-5-6-17(14,15)10(4)9(3)11(13)16-7-8(2)12/h8-10,12H,5-7H2,1-4H3,(H,14,15)
InChIKeyNIJUGGROEQZELF-UHFFFAOYSA-N
XLogP1.62
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate
CID 155641970
2-[hydroxy(propyl)phosphoryl]propanoic acid
CID 46239174
aluminum [4-(2-hydroxyethoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinate
CID 172787226
butan-2-yl(propyl)phosphinic acid
CID 87395468
2-hydroxypropyl 3-hydroxy-2-tetradecyloctadecanoate
CID 174705074
ethanol;2-hydroxypropyl acetate
CID 88717262
[(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate
CID 93482323
1-O,3-O-diheptyl 2-O-(2-hydroxypropyl) butane-1,2,3-tricarboxylate
CID 101278999
1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol
CID 155472796
2-hydroxypropyl acetate;mercury
CID 174858394
ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 642623
2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate
CID 174553510

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid?
The IUPAC name of [4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid (CID 87190737) is [4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid.
What is the SMILES notation for [4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid?
The canonical SMILES for [4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid is CCCP(=O)(O)C(C)C(C)C(=O)OCC(C)O.
What is the InChIKey of [4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid?
The InChIKey is NIJUGGROEQZELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O5P/c1-5-6-17(14,15)10(4)9(3)11(13)16-7-8(2)12/h8-10,12H,5-7H2,1-4H3,(H,14,15).
What are the key properties of [4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid?
[4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid has a molecular weight of 266.27 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid is sourced from PubChem (CID 87190737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).