2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol

C30H46O7Si — CID 132938512

IUPAC2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol
SMILESCOCO[C@H]([C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC)[C@H]1C[C@@H](C)[C@H](CCO)O1
InChIInChI=1S/C30H46O7Si/c1-23-19-27(37-26(23)17-18-31)29(35-22-33-6)28(34-21-32-5)20-36-38(30(2,3)4,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-16,23,26-29,31H,17-22H2,1-6H3/t23-,26+,27-,28-,29+/m1/s1
InChIKeyGPGUHKJSCYXJGK-MCPFUKIPSA-N
MW546.78 g/mol
LogP3.72
Rot. Bonds15

About 2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol

2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol (PubChem CID 132938512) has the molecular formula C30H46O7Si and a molecular weight of 546.78 g/mol. Its IUPAC name is 2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol
PubChem CID132938512
Molecular FormulaC30H46O7Si
Molecular Weight546.78 g/mol
Exact Mass546.30
IUPAC Name2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol
SMILESCOCO[C@H]([C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC)[C@H]1C[C@@H](C)[C@H](CCO)O1
InChIInChI=1S/C30H46O7Si/c1-23-19-27(37-26(23)17-18-31)29(35-22-33-6)28(34-21-32-5)20-36-38(30(2,3)4,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-16,23,26-29,31H,17-22H2,1-6H3/t23-,26+,27-,28-,29+/m1/s1
InChIKeyGPGUHKJSCYXJGK-MCPFUKIPSA-N
XLogP3.72
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol
CID 72793343
(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol
CID 11742663
(1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol
CID 11452775
(4S,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)oxolan-2-ol
CID 11071012
(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol
CID 11796895
2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol
CID 101389307
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol
CID 10896506
(2S,3S)-N-benzyl-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-imine
CID 72793402
tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate
CID 11432569
(2R,3R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2-hydroxypropan-2-yloxy)oxolan-3-ol
CID 144948924
(1R,4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 10571070
(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 101017191

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol?
The IUPAC name of 2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol (CID 132938512) is 2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol.
What is the SMILES notation for 2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol?
The canonical SMILES for 2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol is COCO[C@H]([C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC)[C@H]1C[C@@H](C)[C@H](CCO)O1.
What is the InChIKey of 2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol?
The InChIKey is GPGUHKJSCYXJGK-MCPFUKIPSA-N. The full InChI is InChI=1S/C30H46O7Si/c1-23-19-27(37-26(23)17-18-31)29(35-22-33-6)28(34-21-32-5)20-36-38(30(2,3)4,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-16,23,26-29,31H,17-22H2,1-6H3/t23-,26+,27-,28-,29+/m1/s1.
What are the key properties of 2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol?
2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol has a molecular weight of 546.78 g/mol, XLogP of 3.72, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol is sourced from PubChem (CID 132938512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).