(2-tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane

C20H42O2Si2 — CID 154711483

IUPAC(2-tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane
SMILESCC[Si](C#CC(C[Si](CC)(CC)CC)OOC(C)(C)C)(CC)CC
InChIInChI=1S/C20H42O2Si2/c1-10-23(11-2,12-3)17-16-19(21-22-20(7,8)9)18-24(13-4,14-5)15-6/h19H,10-15,18H2,1-9H3
InChIKeyNLXBZOIBFGQFEZ-UHFFFAOYSA-N
MW370.73 g/mol
LogP6.66
Rot. Bonds10

About (2-tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane

(2-tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane (PubChem CID 154711483) has the molecular formula C20H42O2Si2 and a molecular weight of 370.73 g/mol. Its IUPAC name is (2-tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane.

Molecular Properties

Compound Name(2-tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane
PubChem CID154711483
Molecular FormulaC20H42O2Si2
Molecular Weight370.73 g/mol
Exact Mass370.27
IUPAC Name(2-tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane
SMILESCC[Si](C#CC(C[Si](CC)(CC)CC)OOC(C)(C)C)(CC)CC
InChIInChI=1S/C20H42O2Si2/c1-10-23(11-2,12-3)17-16-19(21-22-20(7,8)9)18-24(13-4,14-5)15-6/h19H,10-15,18H2,1-9H3
InChIKeyNLXBZOIBFGQFEZ-UHFFFAOYSA-N
XLogP6.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.73
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,12,12,13,13-Octamethyl-4,11-dioxa-3,12-disilatetradec-7-yne
CID 13470485
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CID 10248363
tert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane
CID 15606136
(3,6-Diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane
CID 102086370
Tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane
CID 134977101
[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane
CID 11315575
Triethyl-[6-tri(propan-2-yloxy)silylhexa-1,3,5-triynyl]silane
CID 57745999
tert-butyl-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-ynoxy]-dimethylsilane
CID 58373556
[(4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane
CID 58373581
2-[Diethyl-[(2-methylpropan-2-yl)oxy]silyl]ethyl-diethyl-propan-2-yloxysilane
CID 59537875
Ethyl-[3-[ethyl-methyl-[(2-methylpropan-2-yl)oxy]silyl]propyl]-methyl-propan-2-yloxysilane
CID 59538080
[Diethyl-[(2-methylpropan-2-yl)oxy]silyl]methyl-diethyl-propan-2-yloxysilane
CID 59538116

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane?
The IUPAC name of (2-tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane (CID 154711483) is (2-tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane.
What is the SMILES notation for (2-tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane?
The canonical SMILES for (2-tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane is CC[Si](C#CC(C[Si](CC)(CC)CC)OOC(C)(C)C)(CC)CC.
What is the InChIKey of (2-tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane?
The InChIKey is NLXBZOIBFGQFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2Si2/c1-10-23(11-2,12-3)17-16-19(21-22-20(7,8)9)18-24(13-4,14-5)15-6/h19H,10-15,18H2,1-9H3.
What are the key properties of (2-tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane?
(2-tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane has a molecular weight of 370.73 g/mol, XLogP of 6.66, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane is sourced from PubChem (CID 154711483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).