(E,4R)-4-[tert-butyl(diphenyl)silyl]oxyhex-2-en-1-ol

C22H30O2Si — CID 140928393

IUPAC(E,4R)-4-[tert-butyl(diphenyl)silyl]oxyhex-2-en-1-ol
SMILESCC[C@H](/C=C/CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-5-19(13-12-18-23)24-25(22(2,3)4,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-17,19,23H,5,18H2,1-4H3/b13-12+/t19-/m1/s1
InChIKeyRHLXSEMANPVZAB-JXOMPUQVSA-N
MW354.57 g/mol
LogP3.89
Rot. Bonds7

About (E,4R)-4-[tert-butyl(diphenyl)silyl]oxyhex-2-en-1-ol

(E,4R)-4-[tert-butyl(diphenyl)silyl]oxyhex-2-en-1-ol (PubChem CID 140928393) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is (E,4R)-4-[tert-butyl(diphenyl)silyl]oxyhex-2-en-1-ol.

Molecular Properties

Compound Name(E,4R)-4-[tert-butyl(diphenyl)silyl]oxyhex-2-en-1-ol
PubChem CID140928393
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name(E,4R)-4-[tert-butyl(diphenyl)silyl]oxyhex-2-en-1-ol
SMILESCC[C@H](/C=C/CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-5-19(13-12-18-23)24-25(22(2,3)4,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-17,19,23H,5,18H2,1-4H3/b13-12+/t19-/m1/s1
InChIKeyRHLXSEMANPVZAB-JXOMPUQVSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenyldiethoxysilane
CID 75705
3-((tert-Butyldiphenylsilyl)oxy)-2,2-dimethylpropan-1-ol
CID 11313883
Tert-butyl-cyclopentyloxy-diphenylsilane
CID 85767200
Diphenyl-dipropoxy-silane
CID 14324871
Ethanol, 2-(methyldiphenylsilyl)-
CID 170302
Diphenyl(4-hydroxybutyl)methylsilane
CID 4583561
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
(R)-4-(tert-Butyldiphenylsilyloxy)-3-methyl-1-butanol
CID 23727941
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol
CID 138971112
Dibutoxy(diphenyl)silane
CID 13637536
(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol
CID 5461382
1-Butanol, 4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-
CID 10065108

Frequently Asked Questions

What is the IUPAC name of (E,4R)-4-[tert-butyl(diphenyl)silyl]oxyhex-2-en-1-ol?
The IUPAC name of (E,4R)-4-[tert-butyl(diphenyl)silyl]oxyhex-2-en-1-ol (CID 140928393) is (E,4R)-4-[tert-butyl(diphenyl)silyl]oxyhex-2-en-1-ol.
What is the SMILES notation for (E,4R)-4-[tert-butyl(diphenyl)silyl]oxyhex-2-en-1-ol?
The canonical SMILES for (E,4R)-4-[tert-butyl(diphenyl)silyl]oxyhex-2-en-1-ol is CC[C@H](/C=C/CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E,4R)-4-[tert-butyl(diphenyl)silyl]oxyhex-2-en-1-ol?
The InChIKey is RHLXSEMANPVZAB-JXOMPUQVSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-5-19(13-12-18-23)24-25(22(2,3)4,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-17,19,23H,5,18H2,1-4H3/b13-12+/t19-/m1/s1.
What are the key properties of (E,4R)-4-[tert-butyl(diphenyl)silyl]oxyhex-2-en-1-ol?
(E,4R)-4-[tert-butyl(diphenyl)silyl]oxyhex-2-en-1-ol has a molecular weight of 354.57 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-[tert-butyl(diphenyl)silyl]oxyhex-2-en-1-ol is sourced from PubChem (CID 140928393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).