(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

C32H39NO5Si — CID 101088372

IUPAC(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
SMILESCC1(C)O[C@H]([C@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]([C@@H](O)c2cc3ccccc3[nH]2)O1
InChIInChI=1S/C32H39NO5Si/c1-31(2,3)39(23-15-8-6-9-16-23,24-17-10-7-11-18-24)36-21-27(34)29-30(38-32(4,5)37-29)28(35)26-20-22-14-12-13-19-25(22)33-26/h6-20,27-30,33-35H,21H2,1-5H3/t27-,28+,29-,30-/m1/s1
InChIKeyVIMILIALSBXGRY-GOGZTAQTSA-N
MW545.75 g/mol
LogP4.66
Rot. Bonds8

About (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

(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 (PubChem CID 101088372) has the molecular formula C32H39NO5Si and a molecular weight of 545.75 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID101088372
Molecular FormulaC32H39NO5Si
Molecular Weight545.75 g/mol
Exact Mass545.26
IUPAC Name(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
SMILESCC1(C)O[C@H]([C@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]([C@@H](O)c2cc3ccccc3[nH]2)O1
InChIInChI=1S/C32H39NO5Si/c1-31(2,3)39(23-15-8-6-9-16-23,24-17-10-7-11-18-24)36-21-27(34)29-30(38-32(4,5)37-29)28(35)26-20-22-14-12-13-19-25(22)33-26/h6-20,27-30,33-35H,21H2,1-5H3/t27-,28+,29-,30-/m1/s1
InChIKeyVIMILIALSBXGRY-GOGZTAQTSA-N
XLogP4.66
TPSA83.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.75
LogP ≤ 54.66
H-Bond Donors ≤ 53
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
(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
[(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
(3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
CID 11307283
(R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
CID 122366240
CID 101042348
CID 101042348
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[hydroxy-(4-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 11774280
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
CID 15318695
(1S)-1-(1-benzofuran-2-yl)-2-[(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 24949998
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)O[C@H]([C@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]([C@@H](O)c2cc3ccccc3[nH]2)O1.
What is the InChIKey of (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?
The InChIKey is VIMILIALSBXGRY-GOGZTAQTSA-N. The full InChI is InChI=1S/C32H39NO5Si/c1-31(2,3)39(23-15-8-6-9-16-23,24-17-10-7-11-18-24)36-21-27(34)29-30(38-32(4,5)37-29)28(35)26-20-22-14-12-13-19-25(22)33-26/h6-20,27-30,33-35H,21H2,1-5H3/t27-,28+,29-,30-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 545.75 g/mol, XLogP of 4.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 101088372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).