(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol

C22H28O2Si — CID 23624368

IUPAC(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
SMILESC#CC[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O2Si/c1-5-12-19(23)17-18-24-25(22(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h1,6-11,13-16,19,23H,12,17-18H2,2-4H3/t19-/m1/s1
InChIKeyMRJLMGYDPAOMMB-LJQANCHMSA-N
MW352.55 g/mol
LogP3.34
Rot. Bonds7

About (3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol

(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol (PubChem CID 23624368) has the molecular formula C22H28O2Si and a molecular weight of 352.55 g/mol. Its IUPAC name is (3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol.

Molecular Properties

Compound Name(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
PubChem CID23624368
Molecular FormulaC22H28O2Si
Molecular Weight352.55 g/mol
Exact Mass352.19
IUPAC Name(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
SMILESC#CC[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O2Si/c1-5-12-19(23)17-18-24-25(22(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h1,6-11,13-16,19,23H,12,17-18H2,2-4H3/t19-/m1/s1
InChIKeyMRJLMGYDPAOMMB-LJQANCHMSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol
CID 11342574
tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane
CID 122215628
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
(E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol
CID 11303939
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol
CID 11090300
(E,3S)-1-[tert-butyl(diphenyl)silyl]oxy-7-iodohept-6-en-3-ol
CID 155931189
tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol
CID 160529353
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane
CID 59466777

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol?
The IUPAC name of (3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol (CID 23624368) is (3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol.
What is the SMILES notation for (3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol?
The canonical SMILES for (3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol is C#CC[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol?
The InChIKey is MRJLMGYDPAOMMB-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28O2Si/c1-5-12-19(23)17-18-24-25(22(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h1,6-11,13-16,19,23H,12,17-18H2,2-4H3/t19-/m1/s1.
What are the key properties of (3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol?
(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol has a molecular weight of 352.55 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol is sourced from PubChem (CID 23624368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).