CID 134906895

C21H41CoSi4 — CID 134906895

IUPAC—
SMILESC[Si](C)(C)C1=C([Si](C)(C)C)C([Si](C)(C)C)=C1[Si](C)(C)C.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C16H36Si4.C5H5.Co/c1-17(2,3)13-14(18(4,5)6)16(20(10,11)12)15(13)19(7,8)9;1-2-4-5-3-1;/h1-12H3;1-5H;
InChIKeyDJULREHHGCDVBS-UHFFFAOYSA-N
MW464.84 g/mol
LogP7.42
Rot. Bonds4

About CID 134906895

CID 134906895 (PubChem CID 134906895) has the molecular formula C21H41CoSi4 and a molecular weight of 464.84 g/mol.

Molecular Properties

Compound NameCID 134906895
PubChem CID134906895
Molecular FormulaC21H41CoSi4
Molecular Weight464.84 g/mol
Exact Mass464.16
IUPAC Name—
SMILESC[Si](C)(C)C1=C([Si](C)(C)C)C([Si](C)(C)C)=C1[Si](C)(C)C.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C16H36Si4.C5H5.Co/c1-17(2,3)13-14(18(4,5)6)16(20(10,11)12)15(13)19(7,8)9;1-2-4-5-3-1;/h1-12H3;1-5H;
InChIKeyDJULREHHGCDVBS-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.84
LogP ≤ 57.42
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 134906895?
The IUPAC name of CID 134906895 (CID 134906895) is not available.
What is the SMILES notation for CID 134906895?
The canonical SMILES for CID 134906895 is C[Si](C)(C)C1=C([Si](C)(C)C)C([Si](C)(C)C)=C1[Si](C)(C)C.[CH]1C=CC=C1.[Co].
What is the InChIKey of CID 134906895?
The InChIKey is DJULREHHGCDVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36Si4.C5H5.Co/c1-17(2,3)13-14(18(4,5)6)16(20(10,11)12)15(13)19(7,8)9;1-2-4-5-3-1;/h1-12H3;1-5H;.
What are the key properties of CID 134906895?
CID 134906895 has a molecular weight of 464.84 g/mol, XLogP of 7.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134906895 is sourced from PubChem (CID 134906895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).