CID 23232134

C27H35O6Ru3Si+2 — CID 23232134

IUPAC—
SMILESCC1CC(C)C2CCCC2C(C)C1.C[Si](C)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru+].[Ru+].[Ru]
InChIInChI=1S/C13H24.C8H11Si.6CO.3Ru/c1-9-7-10(2)12-5-4-6-13(12)11(3)8-9;1-9(2)8-6-4-3-5-7-8;6*1-2;;;/h9-13H,4-8H2,1-3H3;3-7H,1-2H3;;;;;;;;;/q;;;;;;;;;2*+1
InChIKeyPOAPNEOTCNSCFU-UHFFFAOYSA-N
MW786.87 g/mol
LogP5.52
Rot. Bonds1

About CID 23232134

CID 23232134 (PubChem CID 23232134) has the molecular formula C27H35O6Ru3Si+2 and a molecular weight of 786.87 g/mol.

Molecular Properties

Compound NameCID 23232134
PubChem CID23232134
Molecular FormulaC27H35O6Ru3Si+2
Molecular Weight786.87 g/mol
Exact Mass788.93
IUPAC Name—
SMILESCC1CC(C)C2CCCC2C(C)C1.C[Si](C)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru+].[Ru+].[Ru]
InChIInChI=1S/C13H24.C8H11Si.6CO.3Ru/c1-9-7-10(2)12-5-4-6-13(12)11(3)8-9;1-9(2)8-6-4-3-5-7-8;6*1-2;;;/h9-13H,4-8H2,1-3H3;3-7H,1-2H3;;;;;;;;;/q;;;;;;;;;2*+1
InChIKeyPOAPNEOTCNSCFU-UHFFFAOYSA-N
XLogP5.52
TPSA119.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.87
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 23232134?
The IUPAC name of CID 23232134 (CID 23232134) is not available.
What is the SMILES notation for CID 23232134?
The canonical SMILES for CID 23232134 is CC1CC(C)C2CCCC2C(C)C1.C[Si](C)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru+].[Ru+].[Ru].
What is the InChIKey of CID 23232134?
The InChIKey is POAPNEOTCNSCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24.C8H11Si.6CO.3Ru/c1-9-7-10(2)12-5-4-6-13(12)11(3)8-9;1-9(2)8-6-4-3-5-7-8;6*1-2;;;/h9-13H,4-8H2,1-3H3;3-7H,1-2H3;;;;;;;;;/q;;;;;;;;;2*+1.
What are the key properties of CID 23232134?
CID 23232134 has a molecular weight of 786.87 g/mol, XLogP of 5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23232134 is sourced from PubChem (CID 23232134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).