tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane

C27H56O3Si3 — CID 10874920

IUPACtert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O3Si3/c1-18-20-24(30-33(16,17)27(9,10)11)22(21-28-31(12,13)25(3,4)5)23(19-2)29-32(14,15)26(6,7)8/h1,19,22-24H,2,20-21H2,3-17H3/t22-,23-,24-/m1/s1
InChIKeyOYIHFIDUMOHKIB-WXFUMESZSA-N
MW513.00 g/mol
LogP8.61
Rot. Bonds11

About tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane

tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane (PubChem CID 10874920) has the molecular formula C27H56O3Si3 and a molecular weight of 513.00 g/mol. Its IUPAC name is tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane
PubChem CID10874920
Molecular FormulaC27H56O3Si3
Molecular Weight513.00 g/mol
Exact Mass512.35
IUPAC Nametert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O3Si3/c1-18-20-24(30-33(16,17)27(9,10)11)22(21-28-31(12,13)25(3,4)5)23(19-2)29-32(14,15)26(6,7)8/h1,19,22-24H,2,20-21H2,3-17H3/t22-,23-,24-/m1/s1
InChIKeyOYIHFIDUMOHKIB-WXFUMESZSA-N
XLogP8.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.00
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-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

tert-butyl-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane
CID 9885624
tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10643656
tert-butyl-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10667634
(2R,4R,5R)-2,4-bis(tert-Butyldimethylsilyloxy)-5-methylhept-6-ene
CID 24756074
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane
CID 15422449
Tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane
CID 102331088
tert-butyl-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-ynoxy]-dimethylsilane
CID 134848526
tert-butyl-[(3S)-9,9-dimethyl-8-tri(propan-2-yl)silyloxydodec-11-en-1,6-diyn-3-yl]oxy-dimethylsilane
CID 134865047
(4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol
CID 134949285
tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane
CID 135042365
tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane
CID 162406243
Tert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane
CID 11120485

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane (CID 10874920) is tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane?
The InChIKey is OYIHFIDUMOHKIB-WXFUMESZSA-N. The full InChI is InChI=1S/C27H56O3Si3/c1-18-20-24(30-33(16,17)27(9,10)11)22(21-28-31(12,13)25(3,4)5)23(19-2)29-32(14,15)26(6,7)8/h1,19,22-24H,2,20-21H2,3-17H3/t22-,23-,24-/m1/s1.
What are the key properties of tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane?
tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane has a molecular weight of 513.00 g/mol, XLogP of 8.61, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane is sourced from PubChem (CID 10874920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).