tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynyl-2-methylpent-4-enoxy]-dimethylsilane

C20H40O2Si2 — CID 11152863

IUPACtert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynyl-2-methylpent-4-enoxy]-dimethylsilane
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O2Si2/c1-14-17(21-23(10,11)19(4,5)6)16(3)18(15-2)22-24(12,13)20(7,8)9/h1,15-18H,2H2,3-13H3/t16-,17+,18-/m1/s1
InChIKeyKYALRZBFVNOUNA-FGTMMUONSA-N
MW368.71 g/mol
LogP6.22
Rot. Bonds7

About tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynyl-2-methylpent-4-enoxy]-dimethylsilane

tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynyl-2-methylpent-4-enoxy]-dimethylsilane (PubChem CID 11152863) has the molecular formula C20H40O2Si2 and a molecular weight of 368.71 g/mol. Its IUPAC name is tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynyl-2-methylpent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynyl-2-methylpent-4-enoxy]-dimethylsilane
PubChem CID11152863
Molecular FormulaC20H40O2Si2
Molecular Weight368.71 g/mol
Exact Mass368.26
IUPAC Nametert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynyl-2-methylpent-4-enoxy]-dimethylsilane
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O2Si2/c1-14-17(21-23(10,11)19(4,5)6)16(3)18(15-2)22-24(12,13)20(7,8)9/h1,15-18H,2H2,3-13H3/t16-,17+,18-/m1/s1
InChIKeyKYALRZBFVNOUNA-FGTMMUONSA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.71
LogP ≤ 56.22
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-[(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
Tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane
CID 11173984
Tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 11782316
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
tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane
CID 135042365
Tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane
CID 164665054
[(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-en-1-ynyl]-trimethylsilane
CID 10670142
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylpent-4-ynoxy]-dimethylsilane
CID 10689515
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylnon-4-ynoxy]-dimethylsilane
CID 10787745

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynyl-2-methylpent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynyl-2-methylpent-4-enoxy]-dimethylsilane (CID 11152863) is tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynyl-2-methylpent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynyl-2-methylpent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynyl-2-methylpent-4-enoxy]-dimethylsilane is C#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](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-1-ethynyl-2-methylpent-4-enoxy]-dimethylsilane?
The InChIKey is KYALRZBFVNOUNA-FGTMMUONSA-N. The full InChI is InChI=1S/C20H40O2Si2/c1-14-17(21-23(10,11)19(4,5)6)16(3)18(15-2)22-24(12,13)20(7,8)9/h1,15-18H,2H2,3-13H3/t16-,17+,18-/m1/s1.
What are the key properties of tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynyl-2-methylpent-4-enoxy]-dimethylsilane?
tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynyl-2-methylpent-4-enoxy]-dimethylsilane has a molecular weight of 368.71 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynyl-2-methylpent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 11152863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).