bis(2,3,3a,7a-tetrahydro-1H-inden-3-id-2-yl)-dimethylsilane;zirconium(2+)

C20H26SiZr — CID 18349384

IUPACbis(2,3,3a,7a-tetrahydro-1H-inden-3-id-2-yl)-dimethylsilane;zirconium(2+)
SMILESC[Si](C)(C1[CH-]C2C=CC=CC2C1)C1[CH-]C2C=CC=CC2C1.[Zr+2]
InChIInChI=1S/C20H26Si.Zr/c1-21(2,19-11-15-7-3-4-8-16(15)12-19)20-13-17-9-5-6-10-18(17)14-20;/h3-11,13,15-20H,12,14H2,1-2H3;/q-2;+2
InChIKeyNVGVNKKSMHFSME-UHFFFAOYSA-N
MW385.74 g/mol
LogP5.37
Rot. Bonds2

About bis(2,3,3a,7a-tetrahydro-1H-inden-3-id-2-yl)-dimethylsilane;zirconium(2+)

bis(2,3,3a,7a-tetrahydro-1H-inden-3-id-2-yl)-dimethylsilane;zirconium(2+) (PubChem CID 18349384) has the molecular formula C20H26SiZr and a molecular weight of 385.74 g/mol. Its IUPAC name is bis(2,3,3a,7a-tetrahydro-1H-inden-3-id-2-yl)-dimethylsilane;zirconium(2+).

Molecular Properties

Compound Namebis(2,3,3a,7a-tetrahydro-1H-inden-3-id-2-yl)-dimethylsilane;zirconium(2+)
PubChem CID18349384
Molecular FormulaC20H26SiZr
Molecular Weight385.74 g/mol
Exact Mass384.09
IUPAC Namebis(2,3,3a,7a-tetrahydro-1H-inden-3-id-2-yl)-dimethylsilane;zirconium(2+)
SMILESC[Si](C)(C1[CH-]C2C=CC=CC2C1)C1[CH-]C2C=CC=CC2C1.[Zr+2]
InChIInChI=1S/C20H26Si.Zr/c1-21(2,19-11-15-7-3-4-8-16(15)12-19)20-13-17-9-5-6-10-18(17)14-20;/h3-11,13,15-20H,12,14H2,1-2H3;/q-2;+2
InChIKeyNVGVNKKSMHFSME-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.74
LogP ≤ 55.37
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'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,3,3a,7a-tetrahydro-1H-inden-3-id-2-yl)-dimethylsilane;zirconium(2+)?
The IUPAC name of bis(2,3,3a,7a-tetrahydro-1H-inden-3-id-2-yl)-dimethylsilane;zirconium(2+) (CID 18349384) is bis(2,3,3a,7a-tetrahydro-1H-inden-3-id-2-yl)-dimethylsilane;zirconium(2+).
What is the SMILES notation for bis(2,3,3a,7a-tetrahydro-1H-inden-3-id-2-yl)-dimethylsilane;zirconium(2+)?
The canonical SMILES for bis(2,3,3a,7a-tetrahydro-1H-inden-3-id-2-yl)-dimethylsilane;zirconium(2+) is C[Si](C)(C1[CH-]C2C=CC=CC2C1)C1[CH-]C2C=CC=CC2C1.[Zr+2].
What is the InChIKey of bis(2,3,3a,7a-tetrahydro-1H-inden-3-id-2-yl)-dimethylsilane;zirconium(2+)?
The InChIKey is NVGVNKKSMHFSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Si.Zr/c1-21(2,19-11-15-7-3-4-8-16(15)12-19)20-13-17-9-5-6-10-18(17)14-20;/h3-11,13,15-20H,12,14H2,1-2H3;/q-2;+2.
What are the key properties of bis(2,3,3a,7a-tetrahydro-1H-inden-3-id-2-yl)-dimethylsilane;zirconium(2+)?
bis(2,3,3a,7a-tetrahydro-1H-inden-3-id-2-yl)-dimethylsilane;zirconium(2+) has a molecular weight of 385.74 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,3a,7a-tetrahydro-1H-inden-3-id-2-yl)-dimethylsilane;zirconium(2+) is sourced from PubChem (CID 18349384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).