CID 134888487

C22H34Si2Zr — CID 134888487

IUPAC—
SMILESCC(=[C-]\[Si](C)(C)C)/C(C)=[C-]/[Si](C)(C)C.[CH]1C=CC=C1.[CH]1C=CC=C1.[Zr+2]
InChIInChI=1S/C12H24Si2.2C5H5.Zr/c1-11(9-13(3,4)5)12(2)10-14(6,7)8;2*1-2-4-5-3-1;/h1-8H3;2*1-5H;/q-2;;;+2
InChIKeyQVGCBKIRGMFXSE-UHFFFAOYSA-N
MW445.91 g/mol
LogP6.87
Rot. Bonds3

About CID 134888487

CID 134888487 (PubChem CID 134888487) has the molecular formula C22H34Si2Zr and a molecular weight of 445.91 g/mol.

Molecular Properties

Compound NameCID 134888487
PubChem CID134888487
Molecular FormulaC22H34Si2Zr
Molecular Weight445.91 g/mol
Exact Mass444.12
IUPAC Name—
SMILESCC(=[C-]\[Si](C)(C)C)/C(C)=[C-]/[Si](C)(C)C.[CH]1C=CC=C1.[CH]1C=CC=C1.[Zr+2]
InChIInChI=1S/C12H24Si2.2C5H5.Zr/c1-11(9-13(3,4)5)12(2)10-14(6,7)8;2*1-2-4-5-3-1;/h1-8H3;2*1-5H;/q-2;;;+2
InChIKeyQVGCBKIRGMFXSE-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.91
LogP ≤ 56.87
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134888487?
The IUPAC name of CID 134888487 (CID 134888487) is not available.
What is the SMILES notation for CID 134888487?
The canonical SMILES for CID 134888487 is CC(=[C-]\[Si](C)(C)C)/C(C)=[C-]/[Si](C)(C)C.[CH]1C=CC=C1.[CH]1C=CC=C1.[Zr+2].
What is the InChIKey of CID 134888487?
The InChIKey is QVGCBKIRGMFXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Si2.2C5H5.Zr/c1-11(9-13(3,4)5)12(2)10-14(6,7)8;2*1-2-4-5-3-1;/h1-8H3;2*1-5H;/q-2;;;+2.
What are the key properties of CID 134888487?
CID 134888487 has a molecular weight of 445.91 g/mol, XLogP of 6.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134888487 is sourced from PubChem (CID 134888487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).