CID 135049641

C21H37CoSi2 — CID 135049641

IUPAC—
SMILESC=CCCC1=C(C)C(C)=C(C)[C]1C.C[Si](C)(C)C#C[Si](C)(C)C.[Co]
InChIInChI=1S/C13H19.C8H18Si2.Co/c1-6-7-8-13-11(4)9(2)10(3)12(13)5;1-9(2,3)7-8-10(4,5)6;/h6H,1,7-8H2,2-5H3;1-6H3;
InChIKeyMRGKFRFFXJVOCO-UHFFFAOYSA-N
MW404.63 g/mol
LogP6.96
Rot. Bonds3

About CID 135049641

CID 135049641 (PubChem CID 135049641) has the molecular formula C21H37CoSi2 and a molecular weight of 404.63 g/mol.

Molecular Properties

Compound NameCID 135049641
PubChem CID135049641
Molecular FormulaC21H37CoSi2
Molecular Weight404.63 g/mol
Exact Mass404.18
IUPAC Name—
SMILESC=CCCC1=C(C)C(C)=C(C)[C]1C.C[Si](C)(C)C#C[Si](C)(C)C.[Co]
InChIInChI=1S/C13H19.C8H18Si2.Co/c1-6-7-8-13-11(4)9(2)10(3)12(13)5;1-9(2,3)7-8-10(4,5)6;/h6H,1,7-8H2,2-5H3;1-6H3;
InChIKeyMRGKFRFFXJVOCO-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.63
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 135049641?
The IUPAC name of CID 135049641 (CID 135049641) is not available.
What is the SMILES notation for CID 135049641?
The canonical SMILES for CID 135049641 is C=CCCC1=C(C)C(C)=C(C)[C]1C.C[Si](C)(C)C#C[Si](C)(C)C.[Co].
What is the InChIKey of CID 135049641?
The InChIKey is MRGKFRFFXJVOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19.C8H18Si2.Co/c1-6-7-8-13-11(4)9(2)10(3)12(13)5;1-9(2,3)7-8-10(4,5)6;/h6H,1,7-8H2,2-5H3;1-6H3;.
What are the key properties of CID 135049641?
CID 135049641 has a molecular weight of 404.63 g/mol, XLogP of 6.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135049641 is sourced from PubChem (CID 135049641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).