[(2Z,6Z)-1-ethynylcycloocta-2,6-dien-1-yl]oxy-trimethylsilane

C13H20OSi — CID 10013757

IUPAC[(2Z,6Z)-1-ethynylcycloocta-2,6-dien-1-yl]oxy-trimethylsilane
SMILESC#CC1(O[Si](C)(C)C)/C=C\CC/C=C\C1
InChIInChI=1S/C13H20OSi/c1-5-13(14-15(2,3)4)11-9-7-6-8-10-12-13/h1,7,9-10,12H,6,8,11H2,2-4H3/b9-7-,12-10-
InChIKeyWEPGYHCLIDDKNB-GEHMVYPESA-N
MW220.39 g/mol
LogP3.51
Rot. Bonds2

About [(2Z,6Z)-1-ethynylcycloocta-2,6-dien-1-yl]oxy-trimethylsilane

[(2Z,6Z)-1-ethynylcycloocta-2,6-dien-1-yl]oxy-trimethylsilane (PubChem CID 10013757) has the molecular formula C13H20OSi and a molecular weight of 220.39 g/mol. Its IUPAC name is [(2Z,6Z)-1-ethynylcycloocta-2,6-dien-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2Z,6Z)-1-ethynylcycloocta-2,6-dien-1-yl]oxy-trimethylsilane
PubChem CID10013757
Molecular FormulaC13H20OSi
Molecular Weight220.39 g/mol
Exact Mass220.13
IUPAC Name[(2Z,6Z)-1-ethynylcycloocta-2,6-dien-1-yl]oxy-trimethylsilane
SMILESC#CC1(O[Si](C)(C)C)/C=C\CC/C=C\C1
InChIInChI=1S/C13H20OSi/c1-5-13(14-15(2,3)4)11-9-7-6-8-10-12-13/h1,7,9-10,12H,6,8,11H2,2-4H3/b9-7-,12-10-
InChIKeyWEPGYHCLIDDKNB-GEHMVYPESA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of [(2Z,6Z)-1-ethynylcycloocta-2,6-dien-1-yl]oxy-trimethylsilane?
The IUPAC name of [(2Z,6Z)-1-ethynylcycloocta-2,6-dien-1-yl]oxy-trimethylsilane (CID 10013757) is [(2Z,6Z)-1-ethynylcycloocta-2,6-dien-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2Z,6Z)-1-ethynylcycloocta-2,6-dien-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(2Z,6Z)-1-ethynylcycloocta-2,6-dien-1-yl]oxy-trimethylsilane is C#CC1(O[Si](C)(C)C)/C=C\CC/C=C\C1.
What is the InChIKey of [(2Z,6Z)-1-ethynylcycloocta-2,6-dien-1-yl]oxy-trimethylsilane?
The InChIKey is WEPGYHCLIDDKNB-GEHMVYPESA-N. The full InChI is InChI=1S/C13H20OSi/c1-5-13(14-15(2,3)4)11-9-7-6-8-10-12-13/h1,7,9-10,12H,6,8,11H2,2-4H3/b9-7-,12-10-.
What are the key properties of [(2Z,6Z)-1-ethynylcycloocta-2,6-dien-1-yl]oxy-trimethylsilane?
[(2Z,6Z)-1-ethynylcycloocta-2,6-dien-1-yl]oxy-trimethylsilane has a molecular weight of 220.39 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,6Z)-1-ethynylcycloocta-2,6-dien-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 10013757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).