(R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol

C32H42O5Si — CID 122366240

IUPAC(R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
SMILESCCO[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C32H42O5Si/c1-7-34-27(29-30(37-32(5,6)36-29)28(33)24-17-11-8-12-18-24)23-35-38(31(2,3)4,25-19-13-9-14-20-25)26-21-15-10-16-22-26/h8-22,27-30,33H,7,23H2,1-6H3/t27-,28+,29+,30+/m0/s1
InChIKeyQUKHJIRXBIAHES-MIPYOGIXSA-N
MW534.77 g/mol
LogP5.22
Rot. Bonds10

About (R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol

(R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol (PubChem CID 122366240) has the molecular formula C32H42O5Si and a molecular weight of 534.77 g/mol. Its IUPAC name is (R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
PubChem CID122366240
Molecular FormulaC32H42O5Si
Molecular Weight534.77 g/mol
Exact Mass534.28
IUPAC Name(R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
SMILESCCO[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C32H42O5Si/c1-7-34-27(29-30(37-32(5,6)36-29)28(33)24-17-11-8-12-18-24)23-35-38(31(2,3)4,25-19-13-9-14-20-25)26-21-15-10-16-22-26/h8-22,27-30,33H,7,23H2,1-6H3/t27-,28+,29+,30+/m0/s1
InChIKeyQUKHJIRXBIAHES-MIPYOGIXSA-N
XLogP5.22
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.77
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-5-[(1S)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 23242980
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 18647944
(S)-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
CID 101493912
(3aR,5R,6S,6aR)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 102214663
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-[(S)-hydroxy(1H-indol-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 101088372
CID 101042348
CID 101042348
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-oxoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11072519
(R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol
CID 134930979
(1S)-1-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxybutan-2-one
CID 59047996
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590

Frequently Asked Questions

What is the IUPAC name of (R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol?
The IUPAC name of (R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol (CID 122366240) is (R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol?
The canonical SMILES for (R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol is CCO[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)c1ccccc1.
What is the InChIKey of (R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol?
The InChIKey is QUKHJIRXBIAHES-MIPYOGIXSA-N. The full InChI is InChI=1S/C32H42O5Si/c1-7-34-27(29-30(37-32(5,6)36-29)28(33)24-17-11-8-12-18-24)23-35-38(31(2,3)4,25-19-13-9-14-20-25)26-21-15-10-16-22-26/h8-22,27-30,33H,7,23H2,1-6H3/t27-,28+,29+,30+/m0/s1.
What are the key properties of (R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol?
(R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol has a molecular weight of 534.77 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol is sourced from PubChem (CID 122366240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).