cyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride

C15H26Cl2SiZr-4 — CID 173008550

IUPACcyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
SMILESCC1=[C-]CC=C1.Cl.Cl.[C-]1=CC=CC1.[CH2-]C.[CH2-]C.[SiH2]=[Zr]
InChIInChI=1S/C6H7.C5H5.2C2H5.2ClH.H2Si.Zr/c1-6-4-2-3-5-6;1-2-4-5-3-1;2*1-2;;;;/h2,4H,3H2,1H3;1-3H,4H2;2*1H2,2H3;2*1H;1H2;/q4*-1;;;;
InChIKeyHPTYMTNIDRINIP-UHFFFAOYSA-N
MW396.59 g/mol
LogP4.61
Rot. Bonds

About cyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride

cyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride (PubChem CID 173008550) has the molecular formula C15H26Cl2SiZr-4 and a molecular weight of 396.59 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
PubChem CID173008550
Molecular FormulaC15H26Cl2SiZr-4
Molecular Weight396.59 g/mol
Exact Mass394.02
IUPAC Namecyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
SMILESCC1=[C-]CC=C1.Cl.Cl.[C-]1=CC=CC1.[CH2-]C.[CH2-]C.[SiH2]=[Zr]
InChIInChI=1S/C6H7.C5H5.2C2H5.2ClH.H2Si.Zr/c1-6-4-2-3-5-6;1-2-4-5-3-1;2*1-2;;;;/h2,4H,3H2,1H3;1-3H,4H2;2*1H2,2H3;2*1H;1H2;/q4*-1;;;;
InChIKeyHPTYMTNIDRINIP-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.59
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
CID 173008627
bis(cyclohexane);cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
CID 173008631
cyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+)
CID 173138312
ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride
CID 174356034
carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride
CID 173008932
bis(2-tert-butylcyclopenta-1,3-diene);carbanide;tetrakis(cyclopenta-1,3-diene);silylidenezirconium;bis(zirconium(2+));hexahydrochloride
CID 173060860
ethane;methanone;2-methylcyclopenta-1,3-diene;tungsten
CID 87198811
bis(2-methylcyclopenta-1,3-diene);zirconium;trihydrobromide;trihydrochloride
CID 175124905
manganese;2-methylcyclopenta-1,3-diene
CID 67103355
chromium;2-methylcyclopenta-1,3-diene
CID 173304853
2-methylcyclopenta-1,3-diene;scandium
CID 174626316
hafnium;2-methylcyclopenta-1,3-diene
CID 173074070

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride?
The IUPAC name of cyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride (CID 173008550) is cyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride.
What is the SMILES notation for cyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride?
The canonical SMILES for cyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride is CC1=[C-]CC=C1.Cl.Cl.[C-]1=CC=CC1.[CH2-]C.[CH2-]C.[SiH2]=[Zr].
What is the InChIKey of cyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride?
The InChIKey is HPTYMTNIDRINIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.C5H5.2C2H5.2ClH.H2Si.Zr/c1-6-4-2-3-5-6;1-2-4-5-3-1;2*1-2;;;;/h2,4H,3H2,1H3;1-3H,4H2;2*1H2,2H3;2*1H;1H2;/q4*-1;;;;.
What are the key properties of cyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride?
cyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride has a molecular weight of 396.59 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride is sourced from PubChem (CID 173008550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).