carbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium

C14H22SiZr-4 — CID 173079956

IUPACcarbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium
SMILESCC1=C(C)C[C-]=C1.[C-]1=CC=CC1.[CH3-].[CH3-].[SiH2]=[Zr]
InChIInChI=1S/C7H9.C5H5.2CH3.H2Si.Zr/c1-6-4-3-5-7(6)2;1-2-4-5-3-1;;;;/h4H,5H2,1-2H3;1-3H,4H2;2*1H3;1H2;/q4*-1;;
InChIKeySIZJUHFTNMTCBU-UHFFFAOYSA-N
MW309.64 g/mol
LogP3.37
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium

carbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium (PubChem CID 173079956) has the molecular formula C14H22SiZr-4 and a molecular weight of 309.64 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium
PubChem CID173079956
Molecular FormulaC14H22SiZr-4
Molecular Weight309.64 g/mol
Exact Mass308.06
IUPAC Namecarbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium
SMILESCC1=C(C)C[C-]=C1.[C-]1=CC=CC1.[CH3-].[CH3-].[SiH2]=[Zr]
InChIInChI=1S/C7H9.C5H5.2CH3.H2Si.Zr/c1-6-4-3-5-7(6)2;1-2-4-5-3-1;;;;/h4H,5H2,1-2H3;1-3H,4H2;2*1H3;1H2;/q4*-1;;
InChIKeySIZJUHFTNMTCBU-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.64
LogP ≤ 53.37
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'}

Analyze carbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 87394647
cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride
CID 87743652
cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;methylidenetitanium(2+);dihydrochloride
CID 87675274
cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;methylidenehafnium(2+);hydrochloride
CID 87676001
cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;methylidenezirconium(2+);dihydrochloride
CID 87137112
benzene;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;methylidenezirconium
CID 22673370
carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride
CID 173008932
carbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium
CID 173079849
bis(1,2-dimethylcyclopenta-1,3-diene);titanium(2+)
CID 174479694
1,2-dimethylcyclopenta-1,3-diene;zirconium;dihydrochloride
CID 87558961
zinc;carbanide;cyclopenta-1,3-diene
CID 23116545
carbanide;cyclopenta-1,3-diene;zinc
CID 173150447

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium?
The IUPAC name of carbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium (CID 173079956) is carbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium is CC1=C(C)C[C-]=C1.[C-]1=CC=CC1.[CH3-].[CH3-].[SiH2]=[Zr].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium?
The InChIKey is SIZJUHFTNMTCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9.C5H5.2CH3.H2Si.Zr/c1-6-4-3-5-7(6)2;1-2-4-5-3-1;;;;/h4H,5H2,1-2H3;1-3H,4H2;2*1H3;1H2;/q4*-1;;.
What are the key properties of carbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium?
carbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium has a molecular weight of 309.64 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium is sourced from PubChem (CID 173079956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).