CID 10917276

C22H34Si2Zr+2 — CID 10917276

IUPAC—
SMILESCC(=[C-]\[Si](C)(C)C)/C(C)=[C-]/[Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]
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;;;+4
InChIKeyUOWTYUJHENCZMG-UHFFFAOYSA-N
MW445.91 g/mol
LogP6.28
Rot. Bonds3

About CID 10917276

CID 10917276 (PubChem CID 10917276) has the molecular formula C22H34Si2Zr+2 and a molecular weight of 445.91 g/mol.

Molecular Properties

Compound NameCID 10917276
PubChem CID10917276
Molecular FormulaC22H34Si2Zr+2
Molecular Weight445.91 g/mol
Exact Mass444.12
IUPAC Name—
SMILESCC(=[C-]\[Si](C)(C)C)/C(C)=[C-]/[Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]
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;;;+4
InChIKeyUOWTYUJHENCZMG-UHFFFAOYSA-N
XLogP6.28
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 ≤ 56.28
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 10917276?
The IUPAC name of CID 10917276 (CID 10917276) is not available.
What is the SMILES notation for CID 10917276?
The canonical SMILES for CID 10917276 is CC(=[C-]\[Si](C)(C)C)/C(C)=[C-]/[Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4].
What is the InChIKey of CID 10917276?
The InChIKey is UOWTYUJHENCZMG-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;;;+4.
What are the key properties of CID 10917276?
CID 10917276 has a molecular weight of 445.91 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10917276 is sourced from PubChem (CID 10917276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).