phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate

C24H34O4Si — CID 10971723

IUPACphenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate
SMILESCC(C)(C)[Si](C)(C)OCCC[C@H](OCc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C24H34O4Si/c1-24(2,3)29(4,5)27-18-12-17-22(26-19-20-13-8-6-9-14-20)23(25)28-21-15-10-7-11-16-21/h6-11,13-16,22H,12,17-19H2,1-5H3/t22-/m0/s1
InChIKeyFACBQWZZGWTCTO-QFIPXVFZSA-N
MW414.62 g/mol
LogP5.98
Rot. Bonds10

About phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate

phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate (PubChem CID 10971723) has the molecular formula C24H34O4Si and a molecular weight of 414.62 g/mol. Its IUPAC name is phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate.

Molecular Properties

Compound Namephenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate
PubChem CID10971723
Molecular FormulaC24H34O4Si
Molecular Weight414.62 g/mol
Exact Mass414.22
IUPAC Namephenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate
SMILESCC(C)(C)[Si](C)(C)OCCC[C@H](OCc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C24H34O4Si/c1-24(2,3)29(4,5)27-18-12-17-22(26-19-20-13-8-6-9-14-20)23(25)28-21-15-10-7-11-16-21/h6-11,13-16,22H,12,17-19H2,1-5H3/t22-/m0/s1
InChIKeyFACBQWZZGWTCTO-QFIPXVFZSA-N
XLogP5.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.62
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyanilino)-5-phenylmethoxyoctan-2-one
CID 10917891
benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate
CID 46179798
benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate
CID 156621112
[(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyl-3-phenylmethoxyheptyl] 2,2-dimethylpropanoate
CID 71513942
methyl (E,4R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-phenylmethoxyhept-2-enoate
CID 71547180
phenyl 2-phenylmethoxypropanoate
CID 15731819
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619
4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid
CID 68630096
benzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
CID 45102918
phenyl 2-ethoxyhexanoate
CID 174752076
14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid
CID 67997848
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol
CID 15420140

Frequently Asked Questions

What is the IUPAC name of phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate?
The IUPAC name of phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate (CID 10971723) is phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate.
What is the SMILES notation for phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate?
The canonical SMILES for phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate is CC(C)(C)[Si](C)(C)OCCC[C@H](OCc1ccccc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate?
The InChIKey is FACBQWZZGWTCTO-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H34O4Si/c1-24(2,3)29(4,5)27-18-12-17-22(26-19-20-13-8-6-9-14-20)23(25)28-21-15-10-7-11-16-21/h6-11,13-16,22H,12,17-19H2,1-5H3/t22-/m0/s1.
What are the key properties of phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate?
phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate has a molecular weight of 414.62 g/mol, XLogP of 5.98, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate is sourced from PubChem (CID 10971723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).