carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide

C16H28Br2SiTi-4 — CID 173280774

IUPACcarbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide
SMILESBr.Br.CC1=[C-]CC=C1C.CC1=[C-]CC=C1C.[CH3-].[CH3-].[SiH2]=[Ti]
InChIInChI=1S/2C7H9.2CH3.2BrH.H2Si.Ti/c2*1-6-4-3-5-7(6)2;;;;;;/h2*4H,3H2,1-2H3;2*1H3;2*1H;1H2;/q4*-1;;;;
InChIKeyFHFVERIWLOVBPO-UHFFFAOYSA-N
MW456.16 g/mol
LogP5.31
Rot. Bonds

About carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide

carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide (PubChem CID 173280774) has the molecular formula C16H28Br2SiTi-4 and a molecular weight of 456.16 g/mol. Its IUPAC name is carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide.

Molecular Properties

Compound Namecarbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide
PubChem CID173280774
Molecular FormulaC16H28Br2SiTi-4
Molecular Weight456.16 g/mol
Exact Mass453.98
IUPAC Namecarbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide
SMILESBr.Br.CC1=[C-]CC=C1C.CC1=[C-]CC=C1C.[CH3-].[CH3-].[SiH2]=[Ti]
InChIInChI=1S/2C7H9.2CH3.2BrH.H2Si.Ti/c2*1-6-4-3-5-7(6)2;;;;;;/h2*4H,3H2,1-2H3;2*1H3;2*1H;1H2;/q4*-1;;;;
InChIKeyFHFVERIWLOVBPO-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.16
LogP ≤ 55.31
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

carbanide;2,3-dimethylcyclopenta-1,3-diene;zirconium(4+)
CID 22676373
bis(2,3-dimethylcyclopenta-1,3-diene);titanium(2+)
CID 175385628
carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride
CID 173161612
bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+)
CID 173149529
bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride
CID 173008605
tetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride
CID 173280689
bis(2,3-dimethylcyclopenta-1,3-diene);ethanol;zirconium(4+);dichloride
CID 175144205
carbanide;cyclohexane;bis(2,3-dimethylcyclopenta-1,3-diene);zirconium(2+);dichloride
CID 87108285
magnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene
CID 174383038
CID 173338511
CID 173338511
bis(2,3-dimethylcyclopenta-1,3-diene);methanidylbenzene;zirconium(4+);chloride
CID 87759015
2,3-dimethylcyclopenta-1,3-diene;methylidenezirconium(2+);2,3,5-trimethylcyclopenta-1,3-diene;dichloride
CID 22990400

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide?
The IUPAC name of carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide (CID 173280774) is carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide.
What is the SMILES notation for carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide?
The canonical SMILES for carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide is Br.Br.CC1=[C-]CC=C1C.CC1=[C-]CC=C1C.[CH3-].[CH3-].[SiH2]=[Ti].
What is the InChIKey of carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide?
The InChIKey is FHFVERIWLOVBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9.2CH3.2BrH.H2Si.Ti/c2*1-6-4-3-5-7(6)2;;;;;;/h2*4H,3H2,1-2H3;2*1H3;2*1H;1H2;/q4*-1;;;;.
What are the key properties of carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide?
carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide has a molecular weight of 456.16 g/mol, XLogP of 5.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide is sourced from PubChem (CID 173280774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).