(4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-phenylmethoxypentan-2-one

C28H34O4Si — CID 10906690

IUPAC(4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-phenylmethoxypentan-2-one
SMILESCC(C)(C)[Si](OC[C@H](O)CC(=O)COCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O4Si/c1-28(2,3)33(26-15-9-5-10-16-26,27-17-11-6-12-18-27)32-22-25(30)19-24(29)21-31-20-23-13-7-4-8-14-23/h4-18,25,30H,19-22H2,1-3H3/t25-/m1/s1
InChIKeyCHKYQOCOENNZPF-RUZDIDTESA-N
MW462.66 g/mol
LogP4.10
Rot. Bonds11

About (4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-phenylmethoxypentan-2-one

(4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-phenylmethoxypentan-2-one (PubChem CID 10906690) has the molecular formula C28H34O4Si and a molecular weight of 462.66 g/mol. Its IUPAC name is (4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-phenylmethoxypentan-2-one.

Molecular Properties

Compound Name(4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-phenylmethoxypentan-2-one
PubChem CID10906690
Molecular FormulaC28H34O4Si
Molecular Weight462.66 g/mol
Exact Mass462.22
IUPAC Name(4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-phenylmethoxypentan-2-one
SMILESCC(C)(C)[Si](OC[C@H](O)CC(=O)COCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O4Si/c1-28(2,3)33(26-15-9-5-10-16-26,27-17-11-6-12-18-27)32-22-25(30)19-24(29)21-31-20-23-13-7-4-8-14-23/h4-18,25,30H,19-22H2,1-3H3/t25-/m1/s1
InChIKeyCHKYQOCOENNZPF-RUZDIDTESA-N
XLogP4.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.66
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-3,4,5-tris(phenylmethoxy)pentan-2-one
CID 11729157
(E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol
CID 10553560
2,3,5-Tris-O-(phenylmethyl)-D-arabinose
CID 11316111
2,3,5-Tris-O-(phenylmethyl)-D-ribose
CID 13965933
tri-O-benzyl xylose
CID 53732758
2,3,5-Tri-o-benzyl-l-xylose
CID 87260033
(3S,4R,5S)-3,4,5,6-tetrahydroxy-1-trityloxyhexan-2-one
CID 90685753
(3S,4S,5R)-1,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexan-2-one
CID 91607482
1,3,4,5-tetra-O-benzyl-l-sorbose
CID 122386598
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid
CID 134943635
(2R,3S,4S,5R)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanoyl fluoride
CID 90726684
(2S,3R,4R,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanoyl fluoride
CID 140460179

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-phenylmethoxypentan-2-one?
The IUPAC name of (4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-phenylmethoxypentan-2-one (CID 10906690) is (4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-phenylmethoxypentan-2-one.
What is the SMILES notation for (4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-phenylmethoxypentan-2-one?
The canonical SMILES for (4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-phenylmethoxypentan-2-one is CC(C)(C)[Si](OC[C@H](O)CC(=O)COCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-phenylmethoxypentan-2-one?
The InChIKey is CHKYQOCOENNZPF-RUZDIDTESA-N. The full InChI is InChI=1S/C28H34O4Si/c1-28(2,3)33(26-15-9-5-10-16-26,27-17-11-6-12-18-27)32-22-25(30)19-24(29)21-31-20-23-13-7-4-8-14-23/h4-18,25,30H,19-22H2,1-3H3/t25-/m1/s1.
What are the key properties of (4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-phenylmethoxypentan-2-one?
(4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-phenylmethoxypentan-2-one has a molecular weight of 462.66 g/mol, XLogP of 4.10, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-phenylmethoxypentan-2-one is sourced from PubChem (CID 10906690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).