2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium

C15H21O2SiZr- — CID 87936103

IUPAC2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium
SMILESC[Si](C)(C)OCCOC1=C(C2=[C-]CC=C2)CC=C1.[Zr]
InChIInChI=1S/C15H21O2Si.Zr/c1-18(2,3)17-12-11-16-15-10-6-9-14(15)13-7-4-5-8-13;/h4,6-7,10H,5,9,11-12H2,1-3H3;/q-1;
InChIKeyQLQGUFVSBJWTAF-UHFFFAOYSA-N
MW352.64 g/mol
LogP3.76
Rot. Bonds6

About 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium

2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium (PubChem CID 87936103) has the molecular formula C15H21O2SiZr- and a molecular weight of 352.64 g/mol. Its IUPAC name is 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium.

Molecular Properties

Compound Name2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium
PubChem CID87936103
Molecular FormulaC15H21O2SiZr-
Molecular Weight352.64 g/mol
Exact Mass351.04
IUPAC Name2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium
SMILESC[Si](C)(C)OCCOC1=C(C2=[C-]CC=C2)CC=C1.[Zr]
InChIInChI=1S/C15H21O2Si.Zr/c1-18(2,3)17-12-11-16-15-10-6-9-14(15)13-7-4-5-8-13;/h4,6-7,10H,5,9,11-12H2,1-3H3;/q-1;
InChIKeyQLQGUFVSBJWTAF-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.64
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 87936077
CID 87936077
CID 87936090
CID 87936090
CID 87936115
CID 87936115
CID 87936245
CID 87936245
CID 87936264
CID 87936264
CID 87936351
CID 87936351
CID 87936599
CID 87936599
CID 87936700
CID 87936700
CID 87936765
CID 87936765
CID 87936775
CID 87936775
CID 87936782
CID 87936782
CID 173956392
CID 173956392

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium?
The IUPAC name of 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium (CID 87936103) is 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium.
What is the SMILES notation for 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium?
The canonical SMILES for 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium is C[Si](C)(C)OCCOC1=C(C2=[C-]CC=C2)CC=C1.[Zr].
What is the InChIKey of 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium?
The InChIKey is QLQGUFVSBJWTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O2Si.Zr/c1-18(2,3)17-12-11-16-15-10-6-9-14(15)13-7-4-5-8-13;/h4,6-7,10H,5,9,11-12H2,1-3H3;/q-1;.
What are the key properties of 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium?
2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium has a molecular weight of 352.64 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxyethoxy-trimethylsilane;zirconium is sourced from PubChem (CID 87936103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).