CID 134900052

C24H32FeSi — CID 134900052

IUPAC—
SMILESCC(C)[C@@H](Cc1ccccc1)[C]1[CH][CH][CH][C]1[Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C19H27Si.C5H5.Fe/c1-15(2)18(14-16-10-7-6-8-11-16)17-12-9-13-19(17)20(3,4)5;1-2-4-5-3-1;/h6-13,15,18H,14H2,1-5H3;1-5H;/t18-;;/m1../s1
InChIKeyXXMUBDOGTSAWLY-JPKZNVRTSA-N
MW404.45 g/mol
LogP6.17
Rot. Bonds5

About CID 134900052

CID 134900052 (PubChem CID 134900052) has the molecular formula C24H32FeSi and a molecular weight of 404.45 g/mol.

Molecular Properties

Compound NameCID 134900052
PubChem CID134900052
Molecular FormulaC24H32FeSi
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name—
SMILESCC(C)[C@@H](Cc1ccccc1)[C]1[CH][CH][CH][C]1[Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C19H27Si.C5H5.Fe/c1-15(2)18(14-16-10-7-6-8-11-16)17-12-9-13-19(17)20(3,4)5;1-2-4-5-3-1;/h6-13,15,18H,14H2,1-5H3;1-5H;/t18-;;/m1../s1
InChIKeyXXMUBDOGTSAWLY-JPKZNVRTSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.45
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 134900052?
The IUPAC name of CID 134900052 (CID 134900052) is not available.
What is the SMILES notation for CID 134900052?
The canonical SMILES for CID 134900052 is CC(C)[C@@H](Cc1ccccc1)[C]1[CH][CH][CH][C]1[Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe].
What is the InChIKey of CID 134900052?
The InChIKey is XXMUBDOGTSAWLY-JPKZNVRTSA-N. The full InChI is InChI=1S/C19H27Si.C5H5.Fe/c1-15(2)18(14-16-10-7-6-8-11-16)17-12-9-13-19(17)20(3,4)5;1-2-4-5-3-1;/h6-13,15,18H,14H2,1-5H3;1-5H;/t18-;;/m1../s1.
What are the key properties of CID 134900052?
CID 134900052 has a molecular weight of 404.45 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134900052 is sourced from PubChem (CID 134900052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).