hydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium

C7H14O4P+ — CID 175429579

IUPAChydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium
SMILESCC(C)C(C)(C)C(=O)O[P+](=O)O
InChIInChI=1S/C7H13O4P/c1-5(2)7(3,4)6(8)11-12(9)10/h5H,1-4H3/p+1
InChIKeyBGUYYZKCEOOTNY-UHFFFAOYSA-O
MW193.16 g/mol
LogP1.86
Rot. Bonds3

About hydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium

hydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium (PubChem CID 175429579) has the molecular formula C7H14O4P+ and a molecular weight of 193.16 g/mol. Its IUPAC name is hydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium
PubChem CID175429579
Molecular FormulaC7H14O4P+
Molecular Weight193.16 g/mol
Exact Mass193.06
IUPAC Namehydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium
SMILESCC(C)C(C)(C)C(=O)O[P+](=O)O
InChIInChI=1S/C7H13O4P/c1-5(2)7(3,4)6(8)11-12(9)10/h5H,1-4H3/p+1
InChIKeyBGUYYZKCEOOTNY-UHFFFAOYSA-O
XLogP1.86
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(diaminomethylideneamino) 2,2,3-trimethylbutanoate
CID 140539809
2-methylprop-2-enoyl 2,2,3-trimethylbutanoate
CID 101145918
[(2S)-pentan-2-yl] 2,2,3-trimethylbutanoate
CID 156672782
(4-methylphenyl) 2,2,3-trimethylbutanoate
CID 143509662
2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
CID 89246504
1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate
CID 87848088
(1-ethylcyclopentyl) 2,2,3-trimethylbutanoate
CID 123394961
(2S)-2-hydroxy-3-methylbutan-2-olate
CID 59952741
butanoyl 2,2,3,3-tetramethylbutanoate;butanoyl 2,2,3-trimethylbutanoate
CID 175379550
[methyl(methylidenecarbamoyl)amino]methyl 2,2,3-trimethylbutanoate
CID 165094607
1-carboxyethoxy-hydroxy-oxophosphanium
CID 88801828
tert-butyl (2S,3S)-2,3-dihydroxybutanoate
CID 24741378

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium?
The IUPAC name of hydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium (CID 175429579) is hydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium.
What is the SMILES notation for hydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium?
The canonical SMILES for hydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium is CC(C)C(C)(C)C(=O)O[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium?
The InChIKey is BGUYYZKCEOOTNY-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13O4P/c1-5(2)7(3,4)6(8)11-12(9)10/h5H,1-4H3/p+1.
What are the key properties of hydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium?
hydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium has a molecular weight of 193.16 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium is sourced from PubChem (CID 175429579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).