tert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane

C15H26OSi — CID 11021324

IUPACtert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane
SMILESC#CCC[C@@H]1C=CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26OSi/c1-7-8-10-13-11-9-12-14(13)16-17(5,6)15(2,3)4/h1,9,11,13-14H,8,10,12H2,2-6H3/t13-,14-/m1/s1
InChIKeyHHXSPRKCTXXKPJ-ZIAGYGMSSA-N
MW250.46 g/mol
LogP4.37
Rot. Bonds4

About tert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane (PubChem CID 11021324) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is tert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane
PubChem CID11021324
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Nametert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane
SMILESC#CCC[C@@H]1C=CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26OSi/c1-7-8-10-13-11-9-12-14(13)16-17(5,6)15(2,3)4/h1,9,11,13-14H,8,10,12H2,2-6H3/t13-,14-/m1/s1
InChIKeyHHXSPRKCTXXKPJ-ZIAGYGMSSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1-cyclopent-3-en-1-ylbut-3-enoxy)-dimethylsilane
CID 11666003
tert-butyl-[(1S)-1-[(1R,2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 11232927
tert-butyl-dimethyl-[(1R,2S)-2-(2-trimethylsilylethynyl)cyclopent-3-en-1-yl]oxysilane
CID 56850984
tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 134887179
(3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol
CID 134972259
[(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 134999883
tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane
CID 162406243
(3S,6R)-6-(Tert-butyldimethylsiloxy)-3-methylnonen-8-yne
CID 101618203
tert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane
CID 15672913
tert-butyl-[(3S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane
CID 15672914
tert-butyl-[(3S,5R)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane
CID 15672915
tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane
CID 15672916

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane (CID 11021324) is tert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane is C#CCC[C@@H]1C=CC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is HHXSPRKCTXXKPJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H26OSi/c1-7-8-10-13-11-9-12-14(13)16-17(5,6)15(2,3)4/h1,9,11,13-14H,8,10,12H2,2-6H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 250.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 11021324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).