tert-butyl-dimethyl-[4-[(2S,3R)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane

C21H34O2Si2 — CID 102119816

IUPACtert-butyl-dimethyl-[4-[(2S,3R)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC#CC1=CCC[C@@]12O[C@H]2C#C[Si](C)(C)C
InChIInChI=1S/C21H34O2Si2/c1-20(2,3)25(7,8)22-16-10-9-12-18-13-11-15-21(18)19(23-21)14-17-24(4,5)6/h13,19H,10-11,15-16H2,1-8H3/t19-,21+/m0/s1
InChIKeySBRNYNJZHBUQBE-PZJWPPBQSA-N
MW374.67 g/mol
LogP5.14
Rot. Bonds3

About tert-butyl-dimethyl-[4-[(2S,3R)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane

tert-butyl-dimethyl-[4-[(2S,3R)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane (PubChem CID 102119816) has the molecular formula C21H34O2Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-[(2S,3R)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-[(2S,3R)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane
PubChem CID102119816
Molecular FormulaC21H34O2Si2
Molecular Weight374.67 g/mol
Exact Mass374.21
IUPAC Nametert-butyl-dimethyl-[4-[(2S,3R)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC#CC1=CCC[C@@]12O[C@H]2C#C[Si](C)(C)C
InChIInChI=1S/C21H34O2Si2/c1-20(2,3)25(7,8)22-16-10-9-12-18-13-11-15-21(18)19(23-21)14-17-24(4,5)6/h13,19H,10-11,15-16H2,1-8H3/t19-,21+/m0/s1
InChIKeySBRNYNJZHBUQBE-PZJWPPBQSA-N
XLogP5.14
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.67
LogP ≤ 55.14
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(8Z,14R,15S)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-15-yl]oxy-tert-butyl-dimethylsilane
CID 134885267
[(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane
CID 10897010
[(8E,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane
CID 42616105
[(1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane
CID 101693454
tert-butyl-dimethyl-[4-[(2R,3S)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane
CID 102119817

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-[(2S,3R)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-[(2S,3R)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane (CID 102119816) is tert-butyl-dimethyl-[4-[(2S,3R)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-[(2S,3R)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-[(2S,3R)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane is CC(C)(C)[Si](C)(C)OCCC#CC1=CCC[C@@]12O[C@H]2C#C[Si](C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[4-[(2S,3R)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane?
The InChIKey is SBRNYNJZHBUQBE-PZJWPPBQSA-N. The full InChI is InChI=1S/C21H34O2Si2/c1-20(2,3)25(7,8)22-16-10-9-12-18-13-11-15-21(18)19(23-21)14-17-24(4,5)6/h13,19H,10-11,15-16H2,1-8H3/t19-,21+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[4-[(2S,3R)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane?
tert-butyl-dimethyl-[4-[(2S,3R)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane has a molecular weight of 374.67 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-[(2S,3R)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane is sourced from PubChem (CID 102119816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).