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

C27H38O5Si — CID 12039247

IUPAC2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol
SMILESCC1(C)OC[C@H]([C@H]2OC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2CCO)O1
InChIInChI=1S/C27H38O5Si/c1-26(2,3)33(20-12-8-6-9-13-20,21-14-10-7-11-15-21)32-23-18-29-25(22(23)16-17-28)24-19-30-27(4,5)31-24/h6-15,22-25,28H,16-19H2,1-5H3/t22-,23-,24+,25-/m0/s1
InChIKeyZMVPKDWANOWNTJ-JBXUNAHCSA-N
MW470.68 g/mol
LogP3.48
Rot. Bonds7

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

2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol (PubChem CID 12039247) has the molecular formula C27H38O5Si and a molecular weight of 470.68 g/mol. Its IUPAC name is 2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol
PubChem CID12039247
Molecular FormulaC27H38O5Si
Molecular Weight470.68 g/mol
Exact Mass470.25
IUPAC Name2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol
SMILESCC1(C)OC[C@H]([C@H]2OC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2CCO)O1
InChIInChI=1S/C27H38O5Si/c1-26(2,3)33(20-12-8-6-9-13-20,21-14-10-7-11-15-21)32-23-18-29-25(22(23)16-17-28)24-19-30-27(4,5)31-24/h6-15,22-25,28H,16-19H2,1-5H3/t22-,23-,24+,25-/m0/s1
InChIKeyZMVPKDWANOWNTJ-JBXUNAHCSA-N
XLogP3.48
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.68
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol?
The IUPAC name of 2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol (CID 12039247) is 2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol.
What is the SMILES notation for 2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol?
The canonical SMILES for 2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol is CC1(C)OC[C@H]([C@H]2OC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2CCO)O1.
What is the InChIKey of 2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol?
The InChIKey is ZMVPKDWANOWNTJ-JBXUNAHCSA-N. The full InChI is InChI=1S/C27H38O5Si/c1-26(2,3)33(20-12-8-6-9-13-20,21-14-10-7-11-15-21)32-23-18-29-25(22(23)16-17-28)24-19-30-27(4,5)31-24/h6-15,22-25,28H,16-19H2,1-5H3/t22-,23-,24+,25-/m0/s1.
What are the key properties of 2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol?
2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol has a molecular weight of 470.68 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol is sourced from PubChem (CID 12039247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).