CID 18689469

C18H50O4Si4Zr — CID 18689469

IUPAC—
SMILESCC(C)(C)O[Si](C)(C)O.CC(C)(C)O[Si](C)(C)O.C[Si](C)C.C[Si](C)C.[Zr]
InChIInChI=1S/2C6H16O2Si.2C3H9Si.Zr/c2*1-6(2,3)8-9(4,5)7;2*1-4(2)3;/h2*7H,1-5H3;2*1-3H3;
InChIKeyQWJILXWZHNMPDT-UHFFFAOYSA-N
MW534.16 g/mol
LogP5.73
Rot. Bonds2

About CID 18689469

CID 18689469 (PubChem CID 18689469) has the molecular formula C18H50O4Si4Zr and a molecular weight of 534.16 g/mol.

Molecular Properties

Compound NameCID 18689469
PubChem CID18689469
Molecular FormulaC18H50O4Si4Zr
Molecular Weight534.16 g/mol
Exact Mass532.18
IUPAC Name—
SMILESCC(C)(C)O[Si](C)(C)O.CC(C)(C)O[Si](C)(C)O.C[Si](C)C.C[Si](C)C.[Zr]
InChIInChI=1S/2C6H16O2Si.2C3H9Si.Zr/c2*1-6(2,3)8-9(4,5)7;2*1-4(2)3;/h2*7H,1-5H3;2*1-3H3;
InChIKeyQWJILXWZHNMPDT-UHFFFAOYSA-N
XLogP5.73
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.16
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 18689469?
The IUPAC name of CID 18689469 (CID 18689469) is not available.
What is the SMILES notation for CID 18689469?
The canonical SMILES for CID 18689469 is CC(C)(C)O[Si](C)(C)O.CC(C)(C)O[Si](C)(C)O.C[Si](C)C.C[Si](C)C.[Zr].
What is the InChIKey of CID 18689469?
The InChIKey is QWJILXWZHNMPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H16O2Si.2C3H9Si.Zr/c2*1-6(2,3)8-9(4,5)7;2*1-4(2)3;/h2*7H,1-5H3;2*1-3H3;.
What are the key properties of CID 18689469?
CID 18689469 has a molecular weight of 534.16 g/mol, XLogP of 5.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18689469 is sourced from PubChem (CID 18689469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).