tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane

C22H42O2Si2 — CID 134977101

IUPACtert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane
SMILESCC(CC#CC#CCC(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O2Si2/c1-19(23-25(9,10)21(3,4)5)17-15-13-14-16-18-20(2)24-26(11,12)22(6,7)8/h19-20H,17-18H2,1-12H3
InChIKeyXYHQLAOFNKRZQT-UHFFFAOYSA-N
MW394.75 g/mol
LogP6.59
Rot. Bonds6

About tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane

tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane (PubChem CID 134977101) has the molecular formula C22H42O2Si2 and a molecular weight of 394.75 g/mol. Its IUPAC name is tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane
PubChem CID134977101
Molecular FormulaC22H42O2Si2
Molecular Weight394.75 g/mol
Exact Mass394.27
IUPAC Nametert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane
SMILESCC(CC#CC#CCC(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O2Si2/c1-19(23-25(9,10)21(3,4)5)17-15-13-14-16-18-20(2)24-26(11,12)22(6,7)8/h19-20H,17-18H2,1-12H3
InChIKeyXYHQLAOFNKRZQT-UHFFFAOYSA-N
XLogP6.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.75
LogP ≤ 56.59
H-Bond Donors ≤ 50
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

Triethyl((4-(triethylsilyl)-3-butyn-1-yl)oxy)silane
CID 10935420
1,3-Butanediol, bis-DMTBS
CID 14176658
Propane, 1,2,3-tris[(tert-butyldimethylsilyl)oxy]-
CID 560661
6-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-ol
CID 134970975
Tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane
CID 134970998
4,9-Dioxa-3,10-disiladodec-6-yne, 2,2,3,3,10,10,11,11-octamethyl-
CID 10757684
3-[3-[Dimethyl(propan-2-yloxy)silyl]prop-2-ynoxy]prop-1-ynyl-dimethyl-propan-2-yloxysilane
CID 11393251
2,2,3,3,12,12,13,13-Octamethyl-4,11-dioxa-3,12-disilatetradec-7-yne
CID 13470485
Tert-butyl-dimethyl-(4-trimethylsilylbut-3-yn-2-yloxy)silane
CID 72796492
2-Triisobutylsilyloxybut-3-yne
CID 531258
3-Triisobutyloxyhex-4-yne
CID 531261
3-Trihehylsilyloxyhex-4-yne
CID 531316

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane?
The IUPAC name of tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane (CID 134977101) is tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane is CC(CC#CC#CCC(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane?
The InChIKey is XYHQLAOFNKRZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2Si2/c1-19(23-25(9,10)21(3,4)5)17-15-13-14-16-18-20(2)24-26(11,12)22(6,7)8/h19-20H,17-18H2,1-12H3.
What are the key properties of tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane?
tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane has a molecular weight of 394.75 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane is sourced from PubChem (CID 134977101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).