tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane

C19H40O2Si2 — CID 10991922

IUPACtert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane
SMILESC#C[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O2Si2/c1-12-17(21-23(10,11)19(5,6)7)15-13-14-16-20-22(8,9)18(2,3)4/h1,17H,13-16H2,2-11H3/t17-/m1/s1
InChIKeyMZTIQTGBXOVOOL-QGZVFWFLSA-N
MW356.70 g/mol
LogP6.20
Rot. Bonds8

About tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane

tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane (PubChem CID 10991922) has the molecular formula C19H40O2Si2 and a molecular weight of 356.70 g/mol. Its IUPAC name is tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane
PubChem CID10991922
Molecular FormulaC19H40O2Si2
Molecular Weight356.70 g/mol
Exact Mass356.26
IUPAC Nametert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane
SMILESC#C[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O2Si2/c1-12-17(21-23(10,11)19(5,6)7)15-13-14-16-20-22(8,9)18(2,3)4/h1,17H,13-16H2,2-11H3/t17-/m1/s1
InChIKeyMZTIQTGBXOVOOL-QGZVFWFLSA-N
XLogP6.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.70
LogP ≤ 56.20
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'}

Analyze tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Silane, dimethyl(non-5-yn-3-yloxy)hexyloxy-
CID 91735226
tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane
CID 10548918
[(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane
CID 11420371
Tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-dimethylsilane
CID 135018115
[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane
CID 138984540
5,7-Bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane
CID 139252748
(3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol
CID 146161464
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane
CID 154707127
tert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane
CID 155931948
trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane
CID 10530881
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol
CID 10595476
7-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol
CID 23240930

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane (CID 10991922) is tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane is C#C[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane?
The InChIKey is MZTIQTGBXOVOOL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H40O2Si2/c1-12-17(21-23(10,11)19(5,6)7)15-13-14-16-20-22(8,9)18(2,3)4/h1,17H,13-16H2,2-11H3/t17-/m1/s1.
What are the key properties of tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane?
tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane has a molecular weight of 356.70 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane is sourced from PubChem (CID 10991922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).