[(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-en-1-ynyl]-trimethylsilane

C22H46O2Si3 — CID 10670142

IUPAC[(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-en-1-ynyl]-trimethylsilane
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O2Si3/c1-15-19(23-26(11,12)21(2,3)4)20(17-16-18-25(8,9)10)24-27(13,14)22(5,6)7/h15,19-20H,1,17H2,2-14H3/t19-,20-/m0/s1
InChIKeyTVMQUGHTQJCXCC-PMACEKPBSA-N
MW426.87 g/mol
LogP7.22
Rot. Bonds7

About [(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-en-1-ynyl]-trimethylsilane

[(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-en-1-ynyl]-trimethylsilane (PubChem CID 10670142) has the molecular formula C22H46O2Si3 and a molecular weight of 426.87 g/mol. Its IUPAC name is [(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-en-1-ynyl]-trimethylsilane
PubChem CID10670142
Molecular FormulaC22H46O2Si3
Molecular Weight426.87 g/mol
Exact Mass426.28
IUPAC Name[(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-en-1-ynyl]-trimethylsilane
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O2Si3/c1-15-19(23-26(11,12)21(2,3)4)20(17-16-18-25(8,9)10)24-27(13,14)22(5,6)7/h15,19-20H,1,17H2,2-14H3/t19-,20-/m0/s1
InChIKeyTVMQUGHTQJCXCC-PMACEKPBSA-N
XLogP7.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.87
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-hept-1-en-6-yn-3-yloxy-dimethylsilane
CID 76533361
tert-Butyl-dimethyl-((S)-1-vinyl-hex-4-ynyloxy)-silane
CID 86661510
tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
CID 135034833
Tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane
CID 11173984
[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-dimethyl-[(3S)-5-tri(propan-2-yl)silylpent-1-en-4-yn-3-yl]oxysilane
CID 72197942
tert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
CID 134839850
tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane
CID 134940445

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-en-1-ynyl]-trimethylsilane (CID 10670142) is [(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-en-1-ynyl]-trimethylsilane is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-en-1-ynyl]-trimethylsilane?
The InChIKey is TVMQUGHTQJCXCC-PMACEKPBSA-N. The full InChI is InChI=1S/C22H46O2Si3/c1-15-19(23-26(11,12)21(2,3)4)20(17-16-18-25(8,9)10)24-27(13,14)22(5,6)7/h15,19-20H,1,17H2,2-14H3/t19-,20-/m0/s1.
What are the key properties of [(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-en-1-ynyl]-trimethylsilane?
[(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-en-1-ynyl]-trimethylsilane has a molecular weight of 426.87 g/mol, XLogP of 7.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 10670142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).