cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride

C14H22Cl2O2SiZr — CID 87936245

IUPACcyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride
SMILESCOC1=[C-]CC=C1O[Si](C)(C)C.Cl.Cl.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C9H15O2Si.C5H5.2ClH.Zr/c1-10-8-6-5-7-9(8)11-12(2,3)4;1-2-4-5-3-1;;;/h7H,5H2,1-4H3;1-3H,4H2;2*1H;/q2*-1;;;+2
InChIKeyRQHGQQGHOKFERE-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.61
Rot. Bonds3

About cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride

cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride (PubChem CID 87936245) has the molecular formula C14H22Cl2O2SiZr and a molecular weight of 412.54 g/mol. Its IUPAC name is cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride
PubChem CID87936245
Molecular FormulaC14H22Cl2O2SiZr
Molecular Weight412.54 g/mol
Exact Mass409.98
IUPAC Namecyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride
SMILESCOC1=[C-]CC=C1O[Si](C)(C)C.Cl.Cl.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C9H15O2Si.C5H5.2ClH.Zr/c1-10-8-6-5-7-9(8)11-12(2,3)4;1-2-4-5-3-1;;;/h7H,5H2,1-4H3;1-3H,4H2;2*1H;/q2*-1;;;+2
InChIKeyRQHGQQGHOKFERE-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride?
The IUPAC name of cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride (CID 87936245) is cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride.
What is the SMILES notation for cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride?
The canonical SMILES for cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride is COC1=[C-]CC=C1O[Si](C)(C)C.Cl.Cl.[C-]1=CC=CC1.[Zr+2].
What is the InChIKey of cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride?
The InChIKey is RQHGQQGHOKFERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O2Si.C5H5.2ClH.Zr/c1-10-8-6-5-7-9(8)11-12(2,3)4;1-2-4-5-3-1;;;/h7H,5H2,1-4H3;1-3H,4H2;2*1H;/q2*-1;;;+2.
What are the key properties of cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride?
cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride has a molecular weight of 412.54 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride is sourced from PubChem (CID 87936245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).