[tert-butyl(dimethyl)silyl] 7-[tert-butyl(dimethyl)silyl]oxyoct-4-ynoate

C20H40O3Si2 — CID 629894

IUPAC[tert-butyl(dimethyl)silyl] 7-[tert-butyl(dimethyl)silyl]oxyoct-4-ynoate
SMILESCC(CC#CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si2/c1-17(22-24(8,9)19(2,3)4)15-13-12-14-16-18(21)23-25(10,11)20(5,6)7/h17H,14-16H2,1-11H3
InChIKeyHSNURNBEZOGJLK-UHFFFAOYSA-N
MW384.71 g/mol
LogP6.12
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 7-[tert-butyl(dimethyl)silyl]oxyoct-4-ynoate

[tert-butyl(dimethyl)silyl] 7-[tert-butyl(dimethyl)silyl]oxyoct-4-ynoate (PubChem CID 629894) has the molecular formula C20H40O3Si2 and a molecular weight of 384.71 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 7-[tert-butyl(dimethyl)silyl]oxyoct-4-ynoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 7-[tert-butyl(dimethyl)silyl]oxyoct-4-ynoate
PubChem CID629894
Molecular FormulaC20H40O3Si2
Molecular Weight384.71 g/mol
Exact Mass384.25
IUPAC Name[tert-butyl(dimethyl)silyl] 7-[tert-butyl(dimethyl)silyl]oxyoct-4-ynoate
SMILESCC(CC#CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si2/c1-17(22-24(8,9)19(2,3)4)15-13-12-14-16-18(21)23-25(10,11)20(5,6)7/h17H,14-16H2,1-11H3
InChIKeyHSNURNBEZOGJLK-UHFFFAOYSA-N
XLogP6.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.71
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [tert-butyl(dimethyl)silyl] 7-[tert-butyl(dimethyl)silyl]oxyoct-4-ynoate with MolForge

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Related Compounds

Butanoic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester
CID 590026
tert-Butyl(dimethyl)silyl 3-([tert-butyl(dimethyl)silyl]oxy)butanoate
CID 553208
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-trimethylsilylpent-4-ynoate
CID 101866427
tert-Butyl(dimethyl)silyl(2R)-2-{[tert-butyl(dimethyl)silyl]oxy}butanoate
CID 57438624
ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
CID 58461626
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
CID 59372853
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
CID 72273509
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
CID 89058031
1,16-Bis[[tert-butyl(dimethyl)silyl]oxy]hexadeca-3,5,10,12-tetrayn-7-one
CID 89717141
1,16-Bis[[tert-butyl(dimethyl)silyl]oxy]hexadeca-4,6,11,13-tetrayn-8-one
CID 89717142
CID 155659042
CID 155659042
CID 155659054
CID 155659054

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 7-[tert-butyl(dimethyl)silyl]oxyoct-4-ynoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 7-[tert-butyl(dimethyl)silyl]oxyoct-4-ynoate (CID 629894) is [tert-butyl(dimethyl)silyl] 7-[tert-butyl(dimethyl)silyl]oxyoct-4-ynoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 7-[tert-butyl(dimethyl)silyl]oxyoct-4-ynoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 7-[tert-butyl(dimethyl)silyl]oxyoct-4-ynoate is CC(CC#CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 7-[tert-butyl(dimethyl)silyl]oxyoct-4-ynoate?
The InChIKey is HSNURNBEZOGJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3Si2/c1-17(22-24(8,9)19(2,3)4)15-13-12-14-16-18(21)23-25(10,11)20(5,6)7/h17H,14-16H2,1-11H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 7-[tert-butyl(dimethyl)silyl]oxyoct-4-ynoate?
[tert-butyl(dimethyl)silyl] 7-[tert-butyl(dimethyl)silyl]oxyoct-4-ynoate has a molecular weight of 384.71 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 7-[tert-butyl(dimethyl)silyl]oxyoct-4-ynoate is sourced from PubChem (CID 629894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).