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

C20H30SiZr-4 — CID 173216117

IUPACbis(2,3,3a,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium
SMILESC1=CCC2CC[CH-]C2=C1.C1=CCC2CC[CH-]C2=C1.[CH3-].[CH3-].[SiH2]=[Zr]
InChIInChI=1S/2C9H11.2CH3.H2Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;;;;/h2*1-2,4,6,9H,3,5,7H2;2*1H3;1H2;/q4*-1;;
InChIKeyPYKBZWGXFHROCV-UHFFFAOYSA-N
MW389.77 g/mol
LogP4.96
Rot. Bonds

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

bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium (PubChem CID 173216117) has the molecular formula C20H30SiZr-4 and a molecular weight of 389.77 g/mol. Its IUPAC name is bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium.

Molecular Properties

Compound Namebis(2,3,3a,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium
PubChem CID173216117
Molecular FormulaC20H30SiZr-4
Molecular Weight389.77 g/mol
Exact Mass388.12
IUPAC Namebis(2,3,3a,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium
SMILESC1=CCC2CC[CH-]C2=C1.C1=CCC2CC[CH-]C2=C1.[CH3-].[CH3-].[SiH2]=[Zr]
InChIInChI=1S/2C9H11.2CH3.H2Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;;;;/h2*1-2,4,6,9H,3,5,7H2;2*1H3;1H2;/q4*-1;;
InChIKeyPYKBZWGXFHROCV-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 54.96
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,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium?
The IUPAC name of bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium (CID 173216117) is bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium.
What is the SMILES notation for bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium?
The canonical SMILES for bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium is C1=CCC2CC[CH-]C2=C1.C1=CCC2CC[CH-]C2=C1.[CH3-].[CH3-].[SiH2]=[Zr].
What is the InChIKey of bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium?
The InChIKey is PYKBZWGXFHROCV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11.2CH3.H2Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;;;;/h2*1-2,4,6,9H,3,5,7H2;2*1H3;1H2;/q4*-1;;.
What are the key properties of bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium?
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium has a molecular weight of 389.77 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium is sourced from PubChem (CID 173216117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).