(2R)-3-tert-butyl-2-dimethylsilyloxy-6-diphenylphosphoryl-5-oxohexanoic acid

C24H33O5PSi — CID 173295554

IUPAC(2R)-3-tert-butyl-2-dimethylsilyloxy-6-diphenylphosphoryl-5-oxohexanoic acid
SMILESC[SiH](C)O[C@@H](C(=O)O)C(CC(=O)CP(=O)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33O5PSi/c1-24(2,3)21(22(23(26)27)29-31(4)5)16-18(25)17-30(28,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-22,31H,16-17H2,1-5H3,(H,26,27)/t21?,22-/m1/s1
InChIKeyNXZLSDNEHLCXJZ-FOIFJWKZSA-N
MW460.58 g/mol
LogP4.08
Rot. Bonds10

About (2R)-3-tert-butyl-2-dimethylsilyloxy-6-diphenylphosphoryl-5-oxohexanoic acid

(2R)-3-tert-butyl-2-dimethylsilyloxy-6-diphenylphosphoryl-5-oxohexanoic acid (PubChem CID 173295554) has the molecular formula C24H33O5PSi and a molecular weight of 460.58 g/mol. Its IUPAC name is (2R)-3-tert-butyl-2-dimethylsilyloxy-6-diphenylphosphoryl-5-oxohexanoic acid.

Molecular Properties

Compound Name(2R)-3-tert-butyl-2-dimethylsilyloxy-6-diphenylphosphoryl-5-oxohexanoic acid
PubChem CID173295554
Molecular FormulaC24H33O5PSi
Molecular Weight460.58 g/mol
Exact Mass460.18
IUPAC Name(2R)-3-tert-butyl-2-dimethylsilyloxy-6-diphenylphosphoryl-5-oxohexanoic acid
SMILESC[SiH](C)O[C@@H](C(=O)O)C(CC(=O)CP(=O)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33O5PSi/c1-24(2,3)21(22(23(26)27)29-31(4)5)16-18(25)17-30(28,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-22,31H,16-17H2,1-5H3,(H,26,27)/t21?,22-/m1/s1
InChIKeyNXZLSDNEHLCXJZ-FOIFJWKZSA-N
XLogP4.08
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-3-tert-butyl-2-dimethylsilyloxy-6-diphenylphosphoryl-5-oxohexanoic acid with MolForge

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Launch Full Analysis

Related Compounds

1-diphenylphosphoryl-3,3-dimethylbutan-2-one
CID 2752007
[(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-trimethylsilane
CID 45073674
2-(diphenylphosphorylmethyl)-3-methoxy-2-methyl-3-oxopropanoic acid
CID 164684544
(NZ)-N-(1-diphenylphosphorylpropan-2-ylidene)hydroxylamine
CID 102093434
CID 102143449
CID 102143449
4-diphenylphosphoryl-3-methylbutan-2-one
CID 13202522
(2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol
CID 10522910
[(2S,3R)-4-diphenylphosphoryl-2,3-dihydroxy-3-methylbutyl] methanesulfonate
CID 10046409
(E)-N,1-bis(diphenylphosphoryl)propan-2-imine
CID 10813717
1-diphenylphosphoryl-4-methylpentan-3-ol
CID 11312690
9-(1-chloro-2-diphenylphosphorylethylidene)fluorene
CID 139098080
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
CID 15362204

Frequently Asked Questions

What is the IUPAC name of (2R)-3-tert-butyl-2-dimethylsilyloxy-6-diphenylphosphoryl-5-oxohexanoic acid?
The IUPAC name of (2R)-3-tert-butyl-2-dimethylsilyloxy-6-diphenylphosphoryl-5-oxohexanoic acid (CID 173295554) is (2R)-3-tert-butyl-2-dimethylsilyloxy-6-diphenylphosphoryl-5-oxohexanoic acid.
What is the SMILES notation for (2R)-3-tert-butyl-2-dimethylsilyloxy-6-diphenylphosphoryl-5-oxohexanoic acid?
The canonical SMILES for (2R)-3-tert-butyl-2-dimethylsilyloxy-6-diphenylphosphoryl-5-oxohexanoic acid is C[SiH](C)O[C@@H](C(=O)O)C(CC(=O)CP(=O)(c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-3-tert-butyl-2-dimethylsilyloxy-6-diphenylphosphoryl-5-oxohexanoic acid?
The InChIKey is NXZLSDNEHLCXJZ-FOIFJWKZSA-N. The full InChI is InChI=1S/C24H33O5PSi/c1-24(2,3)21(22(23(26)27)29-31(4)5)16-18(25)17-30(28,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-22,31H,16-17H2,1-5H3,(H,26,27)/t21?,22-/m1/s1.
What are the key properties of (2R)-3-tert-butyl-2-dimethylsilyloxy-6-diphenylphosphoryl-5-oxohexanoic acid?
(2R)-3-tert-butyl-2-dimethylsilyloxy-6-diphenylphosphoryl-5-oxohexanoic acid has a molecular weight of 460.58 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-tert-butyl-2-dimethylsilyloxy-6-diphenylphosphoryl-5-oxohexanoic acid is sourced from PubChem (CID 173295554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).