(3R,4R)-1-[tert-butyl(diphenyl)silyl]oxyhexane-3,4-diol

C22H32O3Si — CID 101380523

IUPAC(3R,4R)-1-[tert-butyl(diphenyl)silyl]oxyhexane-3,4-diol
SMILESCC[C@@H](O)[C@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H32O3Si/c1-5-20(23)21(24)16-17-25-26(22(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21,23-24H,5,16-17H2,1-4H3/t20-,21-/m1/s1
InChIKeyRFOJVLVYHGWROC-NHCUHLMSSA-N
MW372.58 g/mol
LogP3.08
Rot. Bonds8

About (3R,4R)-1-[tert-butyl(diphenyl)silyl]oxyhexane-3,4-diol

(3R,4R)-1-[tert-butyl(diphenyl)silyl]oxyhexane-3,4-diol (PubChem CID 101380523) has the molecular formula C22H32O3Si and a molecular weight of 372.58 g/mol. Its IUPAC name is (3R,4R)-1-[tert-butyl(diphenyl)silyl]oxyhexane-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-1-[tert-butyl(diphenyl)silyl]oxyhexane-3,4-diol
PubChem CID101380523
Molecular FormulaC22H32O3Si
Molecular Weight372.58 g/mol
Exact Mass372.21
IUPAC Name(3R,4R)-1-[tert-butyl(diphenyl)silyl]oxyhexane-3,4-diol
SMILESCC[C@@H](O)[C@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H32O3Si/c1-5-20(23)21(24)16-17-25-26(22(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21,23-24H,5,16-17H2,1-4H3/t20-,21-/m1/s1
InChIKeyRFOJVLVYHGWROC-NHCUHLMSSA-N
XLogP3.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-((tert-Butyldiphenylsilyl)oxy)-2,2-dimethylpropan-1-ol
CID 11313883
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
tert-Butyl(hexyloxy)diphenylsilane
CID 11338517
(R)-4-(tert-Butyldiphenylsilyloxy)-3-methyl-1-butanol
CID 23727941
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol
CID 138971112
1-Butanol, 4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-
CID 10065108
3-(Tert-butyldiphenylsiloxy)propanol
CID 10245134
6-O-tert-Butyldiphenylsilyl-D-galactal
CID 10883519
5-(tert-Butyldiphenylsilyloxy)pentan-1-ol
CID 10925936
(2S)-3-{[tert-butyl(diphenyl)silyl]oxy}-2-methyl-1-propanol
CID 11088763
((2R,3S)-3-(tert-butyldiphenylsilyloxy)-2,3-dihydrofuran-2-yl)methanol
CID 11100322
((1S,2R)-2-(((tert-Butyldiphenylsilyl)oxy)methyl)cyclopropyl)methanol
CID 11131629

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[tert-butyl(diphenyl)silyl]oxyhexane-3,4-diol?
The IUPAC name of (3R,4R)-1-[tert-butyl(diphenyl)silyl]oxyhexane-3,4-diol (CID 101380523) is (3R,4R)-1-[tert-butyl(diphenyl)silyl]oxyhexane-3,4-diol.
What is the SMILES notation for (3R,4R)-1-[tert-butyl(diphenyl)silyl]oxyhexane-3,4-diol?
The canonical SMILES for (3R,4R)-1-[tert-butyl(diphenyl)silyl]oxyhexane-3,4-diol is CC[C@@H](O)[C@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R,4R)-1-[tert-butyl(diphenyl)silyl]oxyhexane-3,4-diol?
The InChIKey is RFOJVLVYHGWROC-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H32O3Si/c1-5-20(23)21(24)16-17-25-26(22(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21,23-24H,5,16-17H2,1-4H3/t20-,21-/m1/s1.
What are the key properties of (3R,4R)-1-[tert-butyl(diphenyl)silyl]oxyhexane-3,4-diol?
(3R,4R)-1-[tert-butyl(diphenyl)silyl]oxyhexane-3,4-diol has a molecular weight of 372.58 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[tert-butyl(diphenyl)silyl]oxyhexane-3,4-diol is sourced from PubChem (CID 101380523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).