(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol

C28H36O4Si — CID 11784542

IUPAC(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
SMILESCC(C)(C)[Si](OCC[C@H](O)[C@@H](O)COCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36O4Si/c1-28(2,3)33(24-15-9-5-10-16-24,25-17-11-6-12-18-25)32-20-19-26(29)27(30)22-31-21-23-13-7-4-8-14-23/h4-18,26-27,29-30H,19-22H2,1-3H3/t26-,27-/m0/s1
InChIKeyRGUGZGZKMJMWCX-SVBPBHIXSA-N
MW464.68 g/mol
LogP3.89
Rot. Bonds11

About (2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol

(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol (PubChem CID 11784542) has the molecular formula C28H36O4Si and a molecular weight of 464.68 g/mol. Its IUPAC name is (2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol.

Molecular Properties

Compound Name(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
PubChem CID11784542
Molecular FormulaC28H36O4Si
Molecular Weight464.68 g/mol
Exact Mass464.24
IUPAC Name(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
SMILESCC(C)(C)[Si](OCC[C@H](O)[C@@H](O)COCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36O4Si/c1-28(2,3)33(24-15-9-5-10-16-24,25-17-11-6-12-18-25)32-20-19-26(29)27(30)22-31-21-23-13-7-4-8-14-23/h4-18,26-27,29-30H,19-22H2,1-3H3/t26-,27-/m0/s1
InChIKeyRGUGZGZKMJMWCX-SVBPBHIXSA-N
XLogP3.89
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.68
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol
CID 140879334
(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile
CID 177474808
(2S,3S,4R,5S,6S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptan-2-ol
CID 11542185
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
(E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol
CID 10026512
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal
CID 11983684
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
(3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol
CID 10788581
1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol
CID 18649513

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol?
The IUPAC name of (2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol (CID 11784542) is (2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol.
What is the SMILES notation for (2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol?
The canonical SMILES for (2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol is CC(C)(C)[Si](OCC[C@H](O)[C@@H](O)COCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol?
The InChIKey is RGUGZGZKMJMWCX-SVBPBHIXSA-N. The full InChI is InChI=1S/C28H36O4Si/c1-28(2,3)33(24-15-9-5-10-16-24,25-17-11-6-12-18-25)32-20-19-26(29)27(30)22-31-21-23-13-7-4-8-14-23/h4-18,26-27,29-30H,19-22H2,1-3H3/t26-,27-/m0/s1.
What are the key properties of (2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol?
(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol has a molecular weight of 464.68 g/mol, XLogP of 3.89, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol is sourced from PubChem (CID 11784542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).