(1R,2S)-2-[tert-butyl(diphenyl)silyl]-1,2-diphenylethanol

C30H32OSi — CID 15503821

IUPAC(1R,2S)-2-[tert-butyl(diphenyl)silyl]-1,2-diphenylethanol
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)[C@@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C30H32OSi/c1-30(2,3)32(26-20-12-6-13-21-26,27-22-14-7-15-23-27)29(25-18-10-5-11-19-25)28(31)24-16-8-4-9-17-24/h4-23,28-29,31H,1-3H3/t28-,29+/m1/s1
InChIKeyZLYVPYPPMFVZEQ-WDYNHAJCSA-N
MW436.67 g/mol
LogP6.11
Rot. Bonds6

About (1R,2S)-2-[tert-butyl(diphenyl)silyl]-1,2-diphenylethanol

(1R,2S)-2-[tert-butyl(diphenyl)silyl]-1,2-diphenylethanol (PubChem CID 15503821) has the molecular formula C30H32OSi and a molecular weight of 436.67 g/mol. Its IUPAC name is (1R,2S)-2-[tert-butyl(diphenyl)silyl]-1,2-diphenylethanol.

Molecular Properties

Compound Name(1R,2S)-2-[tert-butyl(diphenyl)silyl]-1,2-diphenylethanol
PubChem CID15503821
Molecular FormulaC30H32OSi
Molecular Weight436.67 g/mol
Exact Mass436.22
IUPAC Name(1R,2S)-2-[tert-butyl(diphenyl)silyl]-1,2-diphenylethanol
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)[C@@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C30H32OSi/c1-30(2,3)32(26-20-12-6-13-21-26,27-22-14-7-15-23-27)29(25-18-10-5-11-19-25)28(31)24-16-8-4-9-17-24/h4-23,28-29,31H,1-3H3/t28-,29+/m1/s1
InChIKeyZLYVPYPPMFVZEQ-WDYNHAJCSA-N
XLogP6.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.67
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (1R,2S)-2-[tert-butyl(diphenyl)silyl]-1,2-diphenylethanol?
The IUPAC name of (1R,2S)-2-[tert-butyl(diphenyl)silyl]-1,2-diphenylethanol (CID 15503821) is (1R,2S)-2-[tert-butyl(diphenyl)silyl]-1,2-diphenylethanol.
What is the SMILES notation for (1R,2S)-2-[tert-butyl(diphenyl)silyl]-1,2-diphenylethanol?
The canonical SMILES for (1R,2S)-2-[tert-butyl(diphenyl)silyl]-1,2-diphenylethanol is CC(C)(C)[Si](c1ccccc1)(c1ccccc1)[C@@H](c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-[tert-butyl(diphenyl)silyl]-1,2-diphenylethanol?
The InChIKey is ZLYVPYPPMFVZEQ-WDYNHAJCSA-N. The full InChI is InChI=1S/C30H32OSi/c1-30(2,3)32(26-20-12-6-13-21-26,27-22-14-7-15-23-27)29(25-18-10-5-11-19-25)28(31)24-16-8-4-9-17-24/h4-23,28-29,31H,1-3H3/t28-,29+/m1/s1.
What are the key properties of (1R,2S)-2-[tert-butyl(diphenyl)silyl]-1,2-diphenylethanol?
(1R,2S)-2-[tert-butyl(diphenyl)silyl]-1,2-diphenylethanol has a molecular weight of 436.67 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[tert-butyl(diphenyl)silyl]-1,2-diphenylethanol is sourced from PubChem (CID 15503821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).