tert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane

C19H40O2Si2 — CID 155931948

IUPACtert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane
SMILESC#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O2Si2/c1-13-15-17(21-23(11,12)19(6,7)8)16(14-2)20-22(9,10)18(3,4)5/h1,16-17H,14-15H2,2-12H3/t16-,17-/m0/s1
InChIKeyZISNVZYCEDODQQ-IRXDYDNUSA-N
MW356.70 g/mol
LogP6.20
Rot. Bonds7

About tert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane

tert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane (PubChem CID 155931948) has the molecular formula C19H40O2Si2 and a molecular weight of 356.70 g/mol. Its IUPAC name is tert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane
PubChem CID155931948
Molecular FormulaC19H40O2Si2
Molecular Weight356.70 g/mol
Exact Mass356.26
IUPAC Nametert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane
SMILESC#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O2Si2/c1-13-15-17(21-23(11,12)19(6,7)8)16(14-2)20-22(9,10)18(3,4)5/h1,16-17H,14-15H2,2-12H3/t16-,17-/m0/s1
InChIKeyZISNVZYCEDODQQ-IRXDYDNUSA-N
XLogP6.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-Trihexylsilyloxybut-3-yne
CID 531313
tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane
CID 10991922
(2S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-4,7-diyn-6-one
CID 11339911
[(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane
CID 11420371
Tert-butyl-dec-5-yn-4-yloxy-dimethylsilane
CID 11821628
tert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane
CID 15606136
trimethyl-[(4S,5S)-5-trimethylsilyloxyocta-1,7-diyn-4-yl]oxysilane
CID 101538562
Tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane
CID 134977101
[(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
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane
CID 154707127
trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane
CID 10530881

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane (CID 155931948) is tert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane is C#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane?
The InChIKey is ZISNVZYCEDODQQ-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H40O2Si2/c1-13-15-17(21-23(11,12)19(6,7)8)16(14-2)20-22(9,10)18(3,4)5/h1,16-17H,14-15H2,2-12H3/t16-,17-/m0/s1.
What are the key properties of tert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane has a molecular weight of 356.70 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 155931948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).