[(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane

C21H41IO2Si3 — CID 11628015

IUPAC[(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H](C#CI)[C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H41IO2Si3/c1-20(2,3)26(10,11)23-18(14-16-22)19(15-17-25(7,8)9)24-27(12,13)21(4,5)6/h18-19H,1-13H3/t18-,19-/m1/s1
InChIKeyGRZFGSWHRUCUCL-RTBURBONSA-N
MW536.72 g/mol
LogP7.04
Rot. Bonds5

About [(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane

[(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane (PubChem CID 11628015) has the molecular formula C21H41IO2Si3 and a molecular weight of 536.72 g/mol. Its IUPAC name is [(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane
PubChem CID11628015
Molecular FormulaC21H41IO2Si3
Molecular Weight536.72 g/mol
Exact Mass536.15
IUPAC Name[(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H](C#CI)[C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H41IO2Si3/c1-20(2,3)26(10,11)23-18(14-16-22)19(15-17-25(7,8)9)24-27(12,13)21(4,5)6/h18-19H,1-13H3/t18-,19-/m1/s1
InChIKeyGRZFGSWHRUCUCL-RTBURBONSA-N
XLogP7.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.72
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane with MolForge

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Related Compounds

trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane
CID 10530881
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 102314561
(E,3R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-N,N,3,6-tetramethyl-9-trimethylsilylnon-4-en-8-ynamide
CID 56641975
(2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 101162769
tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane
CID 10946011
[(3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-chlorododec-11-en-1-ynyl]-trimethylsilane
CID 146169806
tert-butyl-(4,4-dimethyl-1-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10567903
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-ynal
CID 138980521
tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 11782316
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11416604
[(2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-yl] acetate
CID 101168220
tert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane
CID 99772475

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane?
The IUPAC name of [(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane (CID 11628015) is [(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane.
What is the SMILES notation for [(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane?
The canonical SMILES for [(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane is CC(C)(C)[Si](C)(C)O[C@H](C#CI)[C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane?
The InChIKey is GRZFGSWHRUCUCL-RTBURBONSA-N. The full InChI is InChI=1S/C21H41IO2Si3/c1-20(2,3)26(10,11)23-18(14-16-22)19(15-17-25(7,8)9)24-27(12,13)21(4,5)6/h18-19H,1-13H3/t18-,19-/m1/s1.
What are the key properties of [(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane?
[(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane has a molecular weight of 536.72 g/mol, XLogP of 7.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane is sourced from PubChem (CID 11628015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).