[(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate

C24H26IO2P — CID 134994831

IUPAC[(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate
SMILESCC(=O)OC[C@H](C)CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26IO2P/c1-20(18-27-21(2)26)19-28(25,22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,20H,18-19H2,1-2H3/t20-/m0/s1
InChIKeyXONISHQULYSDMP-FQEVSTJZSA-N
MW504.35 g/mol
LogP5.07
Rot. Bonds7

About [(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate

[(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate (PubChem CID 134994831) has the molecular formula C24H26IO2P and a molecular weight of 504.35 g/mol. Its IUPAC name is [(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate.

Molecular Properties

Compound Name[(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate
PubChem CID134994831
Molecular FormulaC24H26IO2P
Molecular Weight504.35 g/mol
Exact Mass504.07
IUPAC Name[(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate
SMILESCC(=O)OC[C@H](C)CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26IO2P/c1-20(18-27-21(2)26)19-28(25,22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,20H,18-19H2,1-2H3/t20-/m0/s1
InChIKeyXONISHQULYSDMP-FQEVSTJZSA-N
XLogP5.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.35
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-phenylpropyl] acetate
CID 10261650
2-phenylsulfanylpropyl acetate
CID 15563434
4,5-bis[iodo(triphenyl)-lambda5-phosphanyl]pentan-2-one
CID 15155918
2-methylpropyl acetate;toluene
CID 19602176
(5-acetyloxy-2,4-dimethylpentyl) acetate
CID 22951898
[(2R,4R)-5-acetyloxy-2,4-dimethylpentyl] acetate
CID 10680239
benzyl acetate
CID 8785
[(2S,5S)-2,5-dimethyl-4-oxo-6-phenylmethoxyhexyl] acetate
CID 10039995
2-methylbutyl acetate
CID 90958828
[(2R,4S)-5-acetyloxy-2,4-dimethyl-3-phenylmethoxypentyl] acetate
CID 10853279
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281
[(2R,3R)-2,3-dihydroxy-4-phenylbutyl] acetate
CID 10585224

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate?
The IUPAC name of [(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate (CID 134994831) is [(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate.
What is the SMILES notation for [(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate?
The canonical SMILES for [(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate is CC(=O)OC[C@H](C)CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate?
The InChIKey is XONISHQULYSDMP-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26IO2P/c1-20(18-27-21(2)26)19-28(25,22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,20H,18-19H2,1-2H3/t20-/m0/s1.
What are the key properties of [(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate?
[(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate has a molecular weight of 504.35 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate is sourced from PubChem (CID 134994831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).