carbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride

C20H33Cl2O2SiZr-3 — CID 87936160

IUPACcarbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride
SMILESC=[Zr].CO.C[Si](C)(C)O.Cl.Cl.[C-]1=CC=CC1.[CH3-].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.C3H10OSi.CH4O.CH3.CH2.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-5(2,3)4;1-2;;;;;/h1-7H;1-3H,4H2;4H,1-3H3;2H,1H3;1H3;1H2;2*1H;/q2*-1;;;-1;;;;
InChIKeyYWQCXBZNNZATFK-UHFFFAOYSA-N
MW495.70 g/mol
LogP5.55
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride

carbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride (PubChem CID 87936160) has the molecular formula C20H33Cl2O2SiZr-3 and a molecular weight of 495.70 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride
PubChem CID87936160
Molecular FormulaC20H33Cl2O2SiZr-3
Molecular Weight495.70 g/mol
Exact Mass493.07
IUPAC Namecarbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride
SMILESC=[Zr].CO.C[Si](C)(C)O.Cl.Cl.[C-]1=CC=CC1.[CH3-].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.C3H10OSi.CH4O.CH3.CH2.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-5(2,3)4;1-2;;;;;/h1-7H;1-3H,4H2;4H,1-3H3;2H,1H3;1H3;1H2;2*1H;/q2*-1;;;-1;;;;
InChIKeyYWQCXBZNNZATFK-UHFFFAOYSA-N
XLogP5.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.70
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

CID 87556722
CID 87556722
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;zirconium
CID 175183042
cyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide
CID 22121693
CID 87936551
CID 87936551
bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride
CID 173106516
butane;cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(2+)
CID 173283220
carbanide;cyclopenta-1,3-diene;dichlorozirconium;1H-inden-1-ide;zirconium(3+);dichloride
CID 19077828
benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide
CID 173309786
CID 87776097
CID 87776097
CID 87936014
CID 87936014
CID 172827206
CID 172827206
carbanide;cyclopenta-1,3-diene;dichlorozirconium;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride
CID 19077893

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride?
The IUPAC name of carbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride (CID 87936160) is carbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride is C=[Zr].CO.C[Si](C)(C)O.Cl.Cl.[C-]1=CC=CC1.[CH3-].c1ccc2[cH-]ccc2c1.
What is the InChIKey of carbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride?
The InChIKey is YWQCXBZNNZATFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.C5H5.C3H10OSi.CH4O.CH3.CH2.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-5(2,3)4;1-2;;;;;/h1-7H;1-3H,4H2;4H,1-3H3;2H,1H3;1H3;1H2;2*1H;/q2*-1;;;-1;;;;.
What are the key properties of carbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride?
carbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride has a molecular weight of 495.70 g/mol, XLogP of 5.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride is sourced from PubChem (CID 87936160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).