(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-diphenylbutan-2-ol

C22H32O2Si — CID 164673299

IUPAC(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-diphenylbutan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H32O2Si/c1-22(2,3)25(4,5)24-17-20(23)16-21(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21,23H,16-17H2,1-5H3/t20-/m0/s1
InChIKeyHEAHABPYZVYZGK-FQEVSTJZSA-N
MW356.58 g/mol
LogP5.59
Rot. Bonds7

About (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-diphenylbutan-2-ol

(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-diphenylbutan-2-ol (PubChem CID 164673299) has the molecular formula C22H32O2Si and a molecular weight of 356.58 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-diphenylbutan-2-ol.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-diphenylbutan-2-ol
PubChem CID164673299
Molecular FormulaC22H32O2Si
Molecular Weight356.58 g/mol
Exact Mass356.22
IUPAC Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-diphenylbutan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H32O2Si/c1-22(2,3)25(4,5)24-17-20(23)16-21(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21,23H,16-17H2,1-5H3/t20-/m0/s1
InChIKeyHEAHABPYZVYZGK-FQEVSTJZSA-N
XLogP5.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.58
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-diphenylbutan-2-ol?
The IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-diphenylbutan-2-ol (CID 164673299) is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-diphenylbutan-2-ol.
What is the SMILES notation for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-diphenylbutan-2-ol?
The canonical SMILES for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-diphenylbutan-2-ol is CC(C)(C)[Si](C)(C)OC[C@@H](O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-diphenylbutan-2-ol?
The InChIKey is HEAHABPYZVYZGK-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H32O2Si/c1-22(2,3)25(4,5)24-17-20(23)16-21(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21,23H,16-17H2,1-5H3/t20-/m0/s1.
What are the key properties of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-diphenylbutan-2-ol?
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-diphenylbutan-2-ol has a molecular weight of 356.58 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-diphenylbutan-2-ol is sourced from PubChem (CID 164673299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).