1,9-bis[[tert-butyl(diphenyl)silyl]oxy]deca-2,7-diyn-5-ol

C42H50O3Si2 — CID 11125188

IUPAC1,9-bis[[tert-butyl(diphenyl)silyl]oxy]deca-2,7-diyn-5-ol
SMILESCC(C#CCC(O)CC#CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C42H50O3Si2/c1-35(45-47(42(5,6)7,39-30-16-10-17-31-39)40-32-18-11-19-33-40)23-22-25-36(43)24-20-21-34-44-46(41(2,3)4,37-26-12-8-13-27-37)38-28-14-9-15-29-38/h8-19,26-33,35-36,43H,24-25,34H2,1-7H3
InChIKeyRBDIZQJHUPIJAX-UHFFFAOYSA-N
MW659.03 g/mol
LogP6.68
Rot. Bonds10

About 1,9-bis[[tert-butyl(diphenyl)silyl]oxy]deca-2,7-diyn-5-ol

1,9-bis[[tert-butyl(diphenyl)silyl]oxy]deca-2,7-diyn-5-ol (PubChem CID 11125188) has the molecular formula C42H50O3Si2 and a molecular weight of 659.03 g/mol. Its IUPAC name is 1,9-bis[[tert-butyl(diphenyl)silyl]oxy]deca-2,7-diyn-5-ol.

Molecular Properties

Compound Name1,9-bis[[tert-butyl(diphenyl)silyl]oxy]deca-2,7-diyn-5-ol
PubChem CID11125188
Molecular FormulaC42H50O3Si2
Molecular Weight659.03 g/mol
Exact Mass658.33
IUPAC Name1,9-bis[[tert-butyl(diphenyl)silyl]oxy]deca-2,7-diyn-5-ol
SMILESCC(C#CCC(O)CC#CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C42H50O3Si2/c1-35(45-47(42(5,6)7,39-30-16-10-17-31-39)40-32-18-11-19-33-40)23-22-25-36(43)24-20-21-34-44-46(41(2,3)4,37-26-12-8-13-27-37)38-28-14-9-15-29-38/h8-19,26-33,35-36,43H,24-25,34H2,1-7H3
InChIKeyRBDIZQJHUPIJAX-UHFFFAOYSA-N
XLogP6.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.03
LogP ≤ 56.68
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

(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol
CID 10883802
10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol
CID 10895162
4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
CID 78163046
(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol
CID 102323148
4-[tert-butyl(diphenyl)silyl]oxybut-2-ynyl methanesulfonate
CID 141229051
(2S,3R,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyloct-5-yn-3-ol
CID 10549448
(2R,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyloct-5-yn-3-ol
CID 101020089
(3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol
CID 11342574
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817

Frequently Asked Questions

What is the IUPAC name of 1,9-bis[[tert-butyl(diphenyl)silyl]oxy]deca-2,7-diyn-5-ol?
The IUPAC name of 1,9-bis[[tert-butyl(diphenyl)silyl]oxy]deca-2,7-diyn-5-ol (CID 11125188) is 1,9-bis[[tert-butyl(diphenyl)silyl]oxy]deca-2,7-diyn-5-ol.
What is the SMILES notation for 1,9-bis[[tert-butyl(diphenyl)silyl]oxy]deca-2,7-diyn-5-ol?
The canonical SMILES for 1,9-bis[[tert-butyl(diphenyl)silyl]oxy]deca-2,7-diyn-5-ol is CC(C#CCC(O)CC#CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1,9-bis[[tert-butyl(diphenyl)silyl]oxy]deca-2,7-diyn-5-ol?
The InChIKey is RBDIZQJHUPIJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H50O3Si2/c1-35(45-47(42(5,6)7,39-30-16-10-17-31-39)40-32-18-11-19-33-40)23-22-25-36(43)24-20-21-34-44-46(41(2,3)4,37-26-12-8-13-27-37)38-28-14-9-15-29-38/h8-19,26-33,35-36,43H,24-25,34H2,1-7H3.
What are the key properties of 1,9-bis[[tert-butyl(diphenyl)silyl]oxy]deca-2,7-diyn-5-ol?
1,9-bis[[tert-butyl(diphenyl)silyl]oxy]deca-2,7-diyn-5-ol has a molecular weight of 659.03 g/mol, XLogP of 6.68, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-bis[[tert-butyl(diphenyl)silyl]oxy]deca-2,7-diyn-5-ol is sourced from PubChem (CID 11125188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).