[(5R)-5-but-3-ynyl-5-[(1R)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane

C19H34O2Si2 — CID 101348502

IUPAC[(5R)-5-but-3-ynyl-5-[(1R)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane
SMILESC#CCC[C@@]1([C@@H](CC=C)O[Si](C)(C)C)CCC=C1O[Si](C)(C)C
InChIInChI=1S/C19H34O2Si2/c1-9-11-15-19(17(13-10-2)20-22(3,4)5)16-12-14-18(19)21-23(6,7)8/h1,10,14,17H,2,11-13,15-16H2,3-8H3/t17-,19+/m1/s1
InChIKeyCACJZKNNWCGUNT-MJGOQNOKSA-N
MW350.65 g/mol
LogP5.71
Rot. Bonds9

About [(5R)-5-but-3-ynyl-5-[(1R)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane

[(5R)-5-but-3-ynyl-5-[(1R)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane (PubChem CID 101348502) has the molecular formula C19H34O2Si2 and a molecular weight of 350.65 g/mol. Its IUPAC name is [(5R)-5-but-3-ynyl-5-[(1R)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(5R)-5-but-3-ynyl-5-[(1R)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane
PubChem CID101348502
Molecular FormulaC19H34O2Si2
Molecular Weight350.65 g/mol
Exact Mass350.21
IUPAC Name[(5R)-5-but-3-ynyl-5-[(1R)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane
SMILESC#CCC[C@@]1([C@@H](CC=C)O[Si](C)(C)C)CCC=C1O[Si](C)(C)C
InChIInChI=1S/C19H34O2Si2/c1-9-11-15-19(17(13-10-2)20-22(3,4)5)16-12-14-18(19)21-23(6,7)8/h1,10,14,17H,2,11-13,15-16H2,3-8H3/t17-,19+/m1/s1
InChIKeyCACJZKNNWCGUNT-MJGOQNOKSA-N
XLogP5.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.65
LogP ≤ 55.71
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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Frequently Asked Questions

What is the IUPAC name of [(5R)-5-but-3-ynyl-5-[(1R)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane?
The IUPAC name of [(5R)-5-but-3-ynyl-5-[(1R)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane (CID 101348502) is [(5R)-5-but-3-ynyl-5-[(1R)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(5R)-5-but-3-ynyl-5-[(1R)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(5R)-5-but-3-ynyl-5-[(1R)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane is C#CCC[C@@]1([C@@H](CC=C)O[Si](C)(C)C)CCC=C1O[Si](C)(C)C.
What is the InChIKey of [(5R)-5-but-3-ynyl-5-[(1R)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane?
The InChIKey is CACJZKNNWCGUNT-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H34O2Si2/c1-9-11-15-19(17(13-10-2)20-22(3,4)5)16-12-14-18(19)21-23(6,7)8/h1,10,14,17H,2,11-13,15-16H2,3-8H3/t17-,19+/m1/s1.
What are the key properties of [(5R)-5-but-3-ynyl-5-[(1R)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane?
[(5R)-5-but-3-ynyl-5-[(1R)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane has a molecular weight of 350.65 g/mol, XLogP of 5.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-but-3-ynyl-5-[(1R)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 101348502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).