(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-ol

C21H30O2Si — CID 23727941

IUPAC(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-ol
SMILESC[C@H](CCO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H30O2Si/c1-18(15-16-22)17-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,22H,15-17H2,1-4H3/t18-/m1/s1
InChIKeyRKCMDKZBHHXRIQ-GOSISDBHSA-N
MW342.56 g/mol
LogP3.58
Rot. Bonds7

About (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-ol

(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-ol (PubChem CID 23727941) has the molecular formula C21H30O2Si and a molecular weight of 342.56 g/mol. Its IUPAC name is (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-ol
PubChem CID23727941
Molecular FormulaC21H30O2Si
Molecular Weight342.56 g/mol
Exact Mass342.20
IUPAC Name(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-ol
SMILESC[C@H](CCO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H30O2Si/c1-18(15-16-22)17-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,22H,15-17H2,1-4H3/t18-/m1/s1
InChIKeyRKCMDKZBHHXRIQ-GOSISDBHSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.56
LogP ≤ 53.58
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 (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-ol?
The IUPAC name of (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-ol (CID 23727941) is (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-ol.
What is the SMILES notation for (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-ol?
The canonical SMILES for (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-ol is C[C@H](CCO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-ol?
The InChIKey is RKCMDKZBHHXRIQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H30O2Si/c1-18(15-16-22)17-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,22H,15-17H2,1-4H3/t18-/m1/s1.
What are the key properties of (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-ol?
(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-ol has a molecular weight of 342.56 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-ol is sourced from PubChem (CID 23727941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).