[5-but-3-ynyl-3,3-dimethyl-5-(1-trimethylsilyloxybut-3-ynyl)cyclopenten-1-yl]oxy-trimethylsilane

C21H36O2Si2 — CID 102006373

IUPAC[5-but-3-ynyl-3,3-dimethyl-5-(1-trimethylsilyloxybut-3-ynyl)cyclopenten-1-yl]oxy-trimethylsilane
SMILESC#CCCC1(C(CC#C)O[Si](C)(C)C)CC(C)(C)C=C1O[Si](C)(C)C
InChIInChI=1S/C21H36O2Si2/c1-11-13-15-21(18(14-12-2)22-24(5,6)7)17-20(3,4)16-19(21)23-25(8,9)10/h1-2,16,18H,13-15,17H2,3-10H3
InChIKeyHJISLXFTHCGUEP-UHFFFAOYSA-N
MW376.69 g/mol
LogP5.79
Rot. Bonds8

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

[5-but-3-ynyl-3,3-dimethyl-5-(1-trimethylsilyloxybut-3-ynyl)cyclopenten-1-yl]oxy-trimethylsilane (PubChem CID 102006373) has the molecular formula C21H36O2Si2 and a molecular weight of 376.69 g/mol. Its IUPAC name is [5-but-3-ynyl-3,3-dimethyl-5-(1-trimethylsilyloxybut-3-ynyl)cyclopenten-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[5-but-3-ynyl-3,3-dimethyl-5-(1-trimethylsilyloxybut-3-ynyl)cyclopenten-1-yl]oxy-trimethylsilane
PubChem CID102006373
Molecular FormulaC21H36O2Si2
Molecular Weight376.69 g/mol
Exact Mass376.23
IUPAC Name[5-but-3-ynyl-3,3-dimethyl-5-(1-trimethylsilyloxybut-3-ynyl)cyclopenten-1-yl]oxy-trimethylsilane
SMILESC#CCCC1(C(CC#C)O[Si](C)(C)C)CC(C)(C)C=C1O[Si](C)(C)C
InChIInChI=1S/C21H36O2Si2/c1-11-13-15-21(18(14-12-2)22-24(5,6)7)17-20(3,4)16-19(21)23-25(8,9)10/h1-2,16,18H,13-15,17H2,3-10H3
InChIKeyHJISLXFTHCGUEP-UHFFFAOYSA-N
XLogP5.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.69
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-but-3-ynyl-3,3-dimethyl-5-(1-trimethylsilyloxybut-3-ynyl)cyclopenten-1-yl]oxy-trimethylsilane?
The IUPAC name of [5-but-3-ynyl-3,3-dimethyl-5-(1-trimethylsilyloxybut-3-ynyl)cyclopenten-1-yl]oxy-trimethylsilane (CID 102006373) is [5-but-3-ynyl-3,3-dimethyl-5-(1-trimethylsilyloxybut-3-ynyl)cyclopenten-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [5-but-3-ynyl-3,3-dimethyl-5-(1-trimethylsilyloxybut-3-ynyl)cyclopenten-1-yl]oxy-trimethylsilane?
The canonical SMILES for [5-but-3-ynyl-3,3-dimethyl-5-(1-trimethylsilyloxybut-3-ynyl)cyclopenten-1-yl]oxy-trimethylsilane is C#CCCC1(C(CC#C)O[Si](C)(C)C)CC(C)(C)C=C1O[Si](C)(C)C.
What is the InChIKey of [5-but-3-ynyl-3,3-dimethyl-5-(1-trimethylsilyloxybut-3-ynyl)cyclopenten-1-yl]oxy-trimethylsilane?
The InChIKey is HJISLXFTHCGUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2Si2/c1-11-13-15-21(18(14-12-2)22-24(5,6)7)17-20(3,4)16-19(21)23-25(8,9)10/h1-2,16,18H,13-15,17H2,3-10H3.
What are the key properties of [5-but-3-ynyl-3,3-dimethyl-5-(1-trimethylsilyloxybut-3-ynyl)cyclopenten-1-yl]oxy-trimethylsilane?
[5-but-3-ynyl-3,3-dimethyl-5-(1-trimethylsilyloxybut-3-ynyl)cyclopenten-1-yl]oxy-trimethylsilane has a molecular weight of 376.69 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-but-3-ynyl-3,3-dimethyl-5-(1-trimethylsilyloxybut-3-ynyl)cyclopenten-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 102006373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).