carbanide;bis(2-ethyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);silylidenezirconium;dihydrochloride

C24H40Cl2SiZr-4 — CID 173073276

IUPACcarbanide;bis(2-ethyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);silylidenezirconium;dihydrochloride
SMILESCCC1[CH-]C2=CC=CCC2C1.CCC1[CH-]C2=CC=CCC2C1.Cl.Cl.[CH3-].[CH3-].[SiH2]=[Zr]
InChIInChI=1S/2C11H15.2CH3.2ClH.H2Si.Zr/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;;;;;;/h2*3-5,7,9,11H,2,6,8H2,1H3;2*1H3;2*1H;1H2;/q4*-1;;;;
InChIKeyLOJUWRSKKQNDGN-UHFFFAOYSA-N
MW518.80 g/mol
LogP7.07
Rot. Bonds2

About carbanide;bis(2-ethyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);silylidenezirconium;dihydrochloride

carbanide;bis(2-ethyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);silylidenezirconium;dihydrochloride (PubChem CID 173073276) has the molecular formula C24H40Cl2SiZr-4 and a molecular weight of 518.80 g/mol. Its IUPAC name is carbanide;bis(2-ethyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);silylidenezirconium;dihydrochloride.

Molecular Properties

Compound Namecarbanide;bis(2-ethyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);silylidenezirconium;dihydrochloride
PubChem CID173073276
Molecular FormulaC24H40Cl2SiZr-4
Molecular Weight518.80 g/mol
Exact Mass516.13
IUPAC Namecarbanide;bis(2-ethyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);silylidenezirconium;dihydrochloride
SMILESCCC1[CH-]C2=CC=CCC2C1.CCC1[CH-]C2=CC=CCC2C1.Cl.Cl.[CH3-].[CH3-].[SiH2]=[Zr]
InChIInChI=1S/2C11H15.2CH3.2ClH.H2Si.Zr/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;;;;;;/h2*3-5,7,9,11H,2,6,8H2,1H3;2*1H3;2*1H;1H2;/q4*-1;;;;
InChIKeyLOJUWRSKKQNDGN-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.80
LogP ≤ 57.07
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

bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium
CID 173216117
hafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride
CID 174428594
bis(2-cyclopentyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);zirconium(4+);dichloride
CID 160715988
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);ethane;silylidenetitanium;dihydrochloride
CID 173213166
CID 172710526
CID 172710526
CID 172847750
CID 172847750
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);zirconium(4+);dibromide
CID 159694847
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride
CID 173283505
zinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride
CID 172750129
6-ethylcyclohexa-1,3-dien-1-ol
CID 143062625
2-ethylcyclohexa-2,4-dien-1-amine
CID 123185856
bis(2,3-dimethyl-1,2,7,7a-tetrahydroinden-3-ide);zirconium(4+);dibromide
CID 158135805

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(2-ethyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);silylidenezirconium;dihydrochloride?
The IUPAC name of carbanide;bis(2-ethyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);silylidenezirconium;dihydrochloride (CID 173073276) is carbanide;bis(2-ethyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);silylidenezirconium;dihydrochloride.
What is the SMILES notation for carbanide;bis(2-ethyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);silylidenezirconium;dihydrochloride?
The canonical SMILES for carbanide;bis(2-ethyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);silylidenezirconium;dihydrochloride is CCC1[CH-]C2=CC=CCC2C1.CCC1[CH-]C2=CC=CCC2C1.Cl.Cl.[CH3-].[CH3-].[SiH2]=[Zr].
What is the InChIKey of carbanide;bis(2-ethyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);silylidenezirconium;dihydrochloride?
The InChIKey is LOJUWRSKKQNDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H15.2CH3.2ClH.H2Si.Zr/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;;;;;;/h2*3-5,7,9,11H,2,6,8H2,1H3;2*1H3;2*1H;1H2;/q4*-1;;;;.
What are the key properties of carbanide;bis(2-ethyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);silylidenezirconium;dihydrochloride?
carbanide;bis(2-ethyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);silylidenezirconium;dihydrochloride has a molecular weight of 518.80 g/mol, XLogP of 7.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(2-ethyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);silylidenezirconium;dihydrochloride is sourced from PubChem (CID 173073276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).