tert-butyl-[(1S)-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]hept-2-ynoxy]-dimethylsilane

C23H46O2Si2 — CID 10919553

IUPACtert-butyl-[(1S)-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]hept-2-ynoxy]-dimethylsilane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C#CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O2Si2/c1-13-15-16-17-19-21(25-27(11,12)23(6,7)8)20(18-14-2)24-26(9,10)22(3,4)5/h14,20-21H,2,13,15-16,18H2,1,3-12H3/t20-,21-/m0/s1
InChIKeyPWQMEJWKZBSONA-SFTDATJTSA-N
MW410.79 g/mol
LogP7.54
Rot. Bonds9

About tert-butyl-[(1S)-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]hept-2-ynoxy]-dimethylsilane

tert-butyl-[(1S)-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]hept-2-ynoxy]-dimethylsilane (PubChem CID 10919553) has the molecular formula C23H46O2Si2 and a molecular weight of 410.79 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]hept-2-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]hept-2-ynoxy]-dimethylsilane
PubChem CID10919553
Molecular FormulaC23H46O2Si2
Molecular Weight410.79 g/mol
Exact Mass410.30
IUPAC Nametert-butyl-[(1S)-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]hept-2-ynoxy]-dimethylsilane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C#CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O2Si2/c1-13-15-16-17-19-21(25-27(11,12)23(6,7)8)20(18-14-2)24-26(9,10)22(3,4)5/h14,20-21H,2,13,15-16,18H2,1,3-12H3/t20-,21-/m0/s1
InChIKeyPWQMEJWKZBSONA-SFTDATJTSA-N
XLogP7.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.79
LogP ≤ 57.54
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane
CID 9885624
tert-butyl-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
CID 11336491
Tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane
CID 11173984
tert-butyl-dimethyl-[(Z,2S)-1-triethylsilyloxydec-4-en-2-yl]oxysilane
CID 11475089
Tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 11782316
[5,11-Bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane
CID 11990191
tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane
CID 15416504
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane
CID 15422449
tert-butyl-[(3S)-9,9-dimethyl-8-tri(propan-2-yl)silyloxydodec-11-en-1,6-diyn-3-yl]oxy-dimethylsilane
CID 134865047
tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane
CID 134940445
tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane
CID 135042365
tert-butyl-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane
CID 135072554

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]hept-2-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]hept-2-ynoxy]-dimethylsilane (CID 10919553) is tert-butyl-[(1S)-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]hept-2-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]hept-2-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]hept-2-ynoxy]-dimethylsilane is C=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C#CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S)-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]hept-2-ynoxy]-dimethylsilane?
The InChIKey is PWQMEJWKZBSONA-SFTDATJTSA-N. The full InChI is InChI=1S/C23H46O2Si2/c1-13-15-16-17-19-21(25-27(11,12)23(6,7)8)20(18-14-2)24-26(9,10)22(3,4)5/h14,20-21H,2,13,15-16,18H2,1,3-12H3/t20-,21-/m0/s1.
What are the key properties of tert-butyl-[(1S)-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]hept-2-ynoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]hept-2-ynoxy]-dimethylsilane has a molecular weight of 410.79 g/mol, XLogP of 7.54, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]hept-2-ynoxy]-dimethylsilane is sourced from PubChem (CID 10919553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).