butane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);1-phenylpentylidenesilane

C37H46HfSi — CID 151120064

IUPACbutane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);1-phenylpentylidenesilane
SMILESCCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.C[CH-]CCC(=[SiH2])c1ccccc1.[CH2-]CCC.[Hf+4]
InChIInChI=1S/C11H15Si.2C11H11.C4H9.Hf/c1-2-3-9-11(12)10-7-5-4-6-8-10;2*1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-4-2;/h2,4-8H,3,9,12H2,1H3;2*3-8H,2H2,1H3;1,3-4H2,2H3;/q4*-1;+4
InChIKeyMRZKYPMMDCJGSL-UHFFFAOYSA-N
MW697.35 g/mol
LogP9.70
Rot. Bonds7

About butane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);1-phenylpentylidenesilane

butane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);1-phenylpentylidenesilane (PubChem CID 151120064) has the molecular formula C37H46HfSi and a molecular weight of 697.35 g/mol. Its IUPAC name is butane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);1-phenylpentylidenesilane.

Molecular Properties

Compound Namebutane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);1-phenylpentylidenesilane
PubChem CID151120064
Molecular FormulaC37H46HfSi
Molecular Weight697.35 g/mol
Exact Mass698.28
IUPAC Namebutane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);1-phenylpentylidenesilane
SMILESCCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.C[CH-]CCC(=[SiH2])c1ccccc1.[CH2-]CCC.[Hf+4]
InChIInChI=1S/C11H15Si.2C11H11.C4H9.Hf/c1-2-3-9-11(12)10-7-5-4-6-8-10;2*1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-4-2;/h2,4-8H,3,9,12H2,1H3;2*3-8H,2H2,1H3;1,3-4H2,2H3;/q4*-1;+4
InChIKeyMRZKYPMMDCJGSL-UHFFFAOYSA-N
XLogP9.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.35
LogP ≤ 59.70
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

butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+)
CID 150271054
carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+)
CID 173263826
butane;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);1-phenylpentylidenesilane;titanium(4+)
CID 150069937
bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride
CID 174370815
CID 173162612
CID 173162612
bis(2-butyl-1H-inden-1-ide);hafnium(4+);dichloride
CID 21080024
CID 172728352
CID 172728352
diphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride
CID 158143792
2-butyl-1H-inden-1-ide;chromium
CID 150230338
2-butyl-1H-inden-1-ide;titanium(3+);diiodide
CID 174711476
bis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride
CID 174396357
2-ethyl-1H-inden-1-ide;1H-inden-1-ide;zirconium(4+);dichloride
CID 18369854

Frequently Asked Questions

What is the IUPAC name of butane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);1-phenylpentylidenesilane?
The IUPAC name of butane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);1-phenylpentylidenesilane (CID 151120064) is butane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);1-phenylpentylidenesilane.
What is the SMILES notation for butane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);1-phenylpentylidenesilane?
The canonical SMILES for butane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);1-phenylpentylidenesilane is CCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.C[CH-]CCC(=[SiH2])c1ccccc1.[CH2-]CCC.[Hf+4].
What is the InChIKey of butane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);1-phenylpentylidenesilane?
The InChIKey is MRZKYPMMDCJGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Si.2C11H11.C4H9.Hf/c1-2-3-9-11(12)10-7-5-4-6-8-10;2*1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-4-2;/h2,4-8H,3,9,12H2,1H3;2*3-8H,2H2,1H3;1,3-4H2,2H3;/q4*-1;+4.
What are the key properties of butane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);1-phenylpentylidenesilane?
butane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);1-phenylpentylidenesilane has a molecular weight of 697.35 g/mol, XLogP of 9.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);1-phenylpentylidenesilane is sourced from PubChem (CID 151120064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).