CID 135005616

C21H36CoOSi2- — CID 135005616

IUPAC—
SMILESC[C@]12CCCC1=CC([Si](C)(C)C)=C([Si](C)(C)C)O2.[CH3-].[CH]1C=CC=C1.[Co]
InChIInChI=1S/C15H28OSi2.C5H5.CH3.Co/c1-15-10-8-9-12(15)11-13(17(2,3)4)14(16-15)18(5,6)7;1-2-4-5-3-1;;/h11H,8-10H2,1-7H3;1-5H;1H3;/q;;-1;/t15-;;;/m0.../s1
InChIKeyRLZNQLQVZHMDJE-CFZZCFLMSA-N
MW419.62 g/mol
LogP6.66
Rot. Bonds2

About CID 135005616

CID 135005616 (PubChem CID 135005616) has the molecular formula C21H36CoOSi2- and a molecular weight of 419.62 g/mol.

Molecular Properties

Compound NameCID 135005616
PubChem CID135005616
Molecular FormulaC21H36CoOSi2-
Molecular Weight419.62 g/mol
Exact Mass419.16
IUPAC Name—
SMILESC[C@]12CCCC1=CC([Si](C)(C)C)=C([Si](C)(C)C)O2.[CH3-].[CH]1C=CC=C1.[Co]
InChIInChI=1S/C15H28OSi2.C5H5.CH3.Co/c1-15-10-8-9-12(15)11-13(17(2,3)4)14(16-15)18(5,6)7;1-2-4-5-3-1;;/h11H,8-10H2,1-7H3;1-5H;1H3;/q;;-1;/t15-;;;/m0.../s1
InChIKeyRLZNQLQVZHMDJE-CFZZCFLMSA-N
XLogP6.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.62
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 135005616?
The IUPAC name of CID 135005616 (CID 135005616) is not available.
What is the SMILES notation for CID 135005616?
The canonical SMILES for CID 135005616 is C[C@]12CCCC1=CC([Si](C)(C)C)=C([Si](C)(C)C)O2.[CH3-].[CH]1C=CC=C1.[Co].
What is the InChIKey of CID 135005616?
The InChIKey is RLZNQLQVZHMDJE-CFZZCFLMSA-N. The full InChI is InChI=1S/C15H28OSi2.C5H5.CH3.Co/c1-15-10-8-9-12(15)11-13(17(2,3)4)14(16-15)18(5,6)7;1-2-4-5-3-1;;/h11H,8-10H2,1-7H3;1-5H;1H3;/q;;-1;/t15-;;;/m0.../s1.
What are the key properties of CID 135005616?
CID 135005616 has a molecular weight of 419.62 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135005616 is sourced from PubChem (CID 135005616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).