tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhex-3-ynoxy]-dimethylsilane

C18H38O2Si2 — CID 13470485

IUPACtert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhex-3-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-17(2,3)21(7,8)19-15-13-11-12-14-16-20-22(9,10)18(4,5)6/h13-16H2,1-10H3
InChIKeyXQGOXHHTLGPJTL-UHFFFAOYSA-N
MW342.67 g/mol
LogP5.81
Rot. Bonds6

About tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhex-3-ynoxy]-dimethylsilane

tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhex-3-ynoxy]-dimethylsilane (PubChem CID 13470485) has the molecular formula C18H38O2Si2 and a molecular weight of 342.67 g/mol. Its IUPAC name is tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhex-3-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhex-3-ynoxy]-dimethylsilane
PubChem CID13470485
Molecular FormulaC18H38O2Si2
Molecular Weight342.67 g/mol
Exact Mass342.24
IUPAC Nametert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhex-3-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-17(2,3)21(7,8)19-15-13-11-12-14-16-20-22(9,10)18(4,5)6/h13-16H2,1-10H3
InChIKeyXQGOXHHTLGPJTL-UHFFFAOYSA-N
XLogP5.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.67
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
2,2,7,7,9,9,14,14-Octamethyl-3,8,13-trioxa-2,7,9,14-tetrasilapentadecane
CID 87702
Trimethyl[4-[(trimethylsilyl)oxy]-1-butynyl]silane
CID 11745995
Silane, [3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-propynyl]trimethyl-
CID 10988471
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
1-t-Butyldimethylsilyloxy-5-trimethylsilyl-4-pentyne
CID 10923628
Tert-butyl(3-(tert-butyldimethylsilyl)prop-2-ynyloxy)-dimethylsilane
CID 10968062
Tert-butyl-dimethyl-pent-3-ynoxysilane
CID 11769487
Tributyl(3-(((1,1-dimethylethyl)dimethylsilyl)oxy)-1-propyn-1-yl)stannane
CID 11812535
tert-Butyl(dimethyl){[4-(trimethylsilyl)but-3-yn-1-yl]oxy}silane
CID 13679439
tert-Butyl(dimethyl){[4-(trimethylsilyl)but-2-yn-1-yl]oxy}silane
CID 14006074

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhex-3-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhex-3-ynoxy]-dimethylsilane (CID 13470485) is tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhex-3-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhex-3-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhex-3-ynoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC#CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhex-3-ynoxy]-dimethylsilane?
The InChIKey is XQGOXHHTLGPJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si2/c1-17(2,3)21(7,8)19-15-13-11-12-14-16-20-22(9,10)18(4,5)6/h13-16H2,1-10H3.
What are the key properties of tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhex-3-ynoxy]-dimethylsilane?
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhex-3-ynoxy]-dimethylsilane has a molecular weight of 342.67 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhex-3-ynoxy]-dimethylsilane is sourced from PubChem (CID 13470485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).