CID 135046484

C19H26SiTh- — CID 135046484

IUPAC—
SMILES[CH2-][Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Th]
InChIInChI=1S/3C5H5.C4H11Si.Th/c3*1-2-4-5-3-1;1-5(2,3)4;/h3*1-5H;1H2,2-4H3;/q;;;-1;
InChIKeyOYQKSSZRRBZARO-UHFFFAOYSA-N
MW514.54 g/mol
LogP4.76
Rot. Bonds

About CID 135046484

CID 135046484 (PubChem CID 135046484) has the molecular formula C19H26SiTh- and a molecular weight of 514.54 g/mol.

Molecular Properties

Compound NameCID 135046484
PubChem CID135046484
Molecular FormulaC19H26SiTh-
Molecular Weight514.54 g/mol
Exact Mass514.22
IUPAC Name—
SMILES[CH2-][Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Th]
InChIInChI=1S/3C5H5.C4H11Si.Th/c3*1-2-4-5-3-1;1-5(2,3)4;/h3*1-5H;1H2,2-4H3;/q;;;-1;
InChIKeyOYQKSSZRRBZARO-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.54
LogP ≤ 54.76
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 CID 135046484?
The IUPAC name of CID 135046484 (CID 135046484) is not available.
What is the SMILES notation for CID 135046484?
The canonical SMILES for CID 135046484 is [CH2-][Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Th].
What is the InChIKey of CID 135046484?
The InChIKey is OYQKSSZRRBZARO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H5.C4H11Si.Th/c3*1-2-4-5-3-1;1-5(2,3)4;/h3*1-5H;1H2,2-4H3;/q;;;-1;.
What are the key properties of CID 135046484?
CID 135046484 has a molecular weight of 514.54 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046484 is sourced from PubChem (CID 135046484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).