(3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol

C39H48O3Si2 — CID 11342574

IUPAC(3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol
SMILESC#C[C@@H](C[C@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C39H48O3Si2/c1-8-33(42-44(39(5,6)7,36-25-17-11-18-26-36)37-27-19-12-20-28-37)31-32(40)29-30-41-43(38(2,3)4,34-21-13-9-14-22-34)35-23-15-10-16-24-35/h1,9-28,32-33,40H,29-31H2,2-7H3/t32-,33+/m1/s1
InChIKeyVVLJVKCQQVETOR-SAIUNTKASA-N
MW620.98 g/mol
LogP6.28
Rot. Bonds12

About (3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol

(3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol (PubChem CID 11342574) has the molecular formula C39H48O3Si2 and a molecular weight of 620.98 g/mol. Its IUPAC name is (3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol.

Molecular Properties

Compound Name(3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol
PubChem CID11342574
Molecular FormulaC39H48O3Si2
Molecular Weight620.98 g/mol
Exact Mass620.31
IUPAC Name(3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol
SMILESC#C[C@@H](C[C@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C39H48O3Si2/c1-8-33(42-44(39(5,6)7,36-25-17-11-18-26-36)37-27-19-12-20-28-37)31-32(40)29-30-41-43(38(2,3)4,34-21-13-9-14-22-34)35-23-15-10-16-24-35/h1,9-28,32-33,40H,29-31H2,2-7H3/t32-,33+/m1/s1
InChIKeyVVLJVKCQQVETOR-SAIUNTKASA-N
XLogP6.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.98
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane
CID 155932039
(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
CID 23624368
tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane
CID 135013582
tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane
CID 122215628
tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane
CID 11331241
(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
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane
CID 134872566
3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
CID 154423315
(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
(E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol
CID 10026512

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol?
The IUPAC name of (3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol (CID 11342574) is (3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol.
What is the SMILES notation for (3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol?
The canonical SMILES for (3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol is C#C[C@@H](C[C@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol?
The InChIKey is VVLJVKCQQVETOR-SAIUNTKASA-N. The full InChI is InChI=1S/C39H48O3Si2/c1-8-33(42-44(39(5,6)7,36-25-17-11-18-26-36)37-27-19-12-20-28-37)31-32(40)29-30-41-43(38(2,3)4,34-21-13-9-14-22-34)35-23-15-10-16-24-35/h1,9-28,32-33,40H,29-31H2,2-7H3/t32-,33+/m1/s1.
What are the key properties of (3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol?
(3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol has a molecular weight of 620.98 g/mol, XLogP of 6.28, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol is sourced from PubChem (CID 11342574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).