CID 11319285

C24H35F3O3RuSSi+ — CID 11319285

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.Cc1cc2c(cc1[Si](C)(C)C)CCC2.O=S(=O)([O-])C(F)(F)F.[Ru+2]
InChIInChI=1S/C13H20Si.C10H15.CHF3O3S.Ru/c1-10-8-11-6-5-7-12(11)9-13(10)14(2,3)4;1-6-7(2)9(4)10(5)8(6)3;2-1(3,4)8(5,6)7;/h8-9H,5-7H2,1-4H3;1-5H3;(H,5,6,7);/q;;;+2/p-1
InChIKeyCWCAFFCVZQPGJX-UHFFFAOYSA-M
MW589.76 g/mol
LogP6.05
Rot. Bonds1

About CID 11319285

CID 11319285 (PubChem CID 11319285) has the molecular formula C24H35F3O3RuSSi+ and a molecular weight of 589.76 g/mol.

Molecular Properties

Compound NameCID 11319285
PubChem CID11319285
Molecular FormulaC24H35F3O3RuSSi+
Molecular Weight589.76 g/mol
Exact Mass590.11
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.Cc1cc2c(cc1[Si](C)(C)C)CCC2.O=S(=O)([O-])C(F)(F)F.[Ru+2]
InChIInChI=1S/C13H20Si.C10H15.CHF3O3S.Ru/c1-10-8-11-6-5-7-12(11)9-13(10)14(2,3)4;1-6-7(2)9(4)10(5)8(6)3;2-1(3,4)8(5,6)7;/h8-9H,5-7H2,1-4H3;1-5H3;(H,5,6,7);/q;;;+2/p-1
InChIKeyCWCAFFCVZQPGJX-UHFFFAOYSA-M
XLogP6.05
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.76
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze CID 11319285 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 11319285?
The IUPAC name of CID 11319285 (CID 11319285) is not available.
What is the SMILES notation for CID 11319285?
The canonical SMILES for CID 11319285 is C[C]1[C](C)[C](C)[C](C)[C]1C.Cc1cc2c(cc1[Si](C)(C)C)CCC2.O=S(=O)([O-])C(F)(F)F.[Ru+2].
What is the InChIKey of CID 11319285?
The InChIKey is CWCAFFCVZQPGJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H20Si.C10H15.CHF3O3S.Ru/c1-10-8-11-6-5-7-12(11)9-13(10)14(2,3)4;1-6-7(2)9(4)10(5)8(6)3;2-1(3,4)8(5,6)7;/h8-9H,5-7H2,1-4H3;1-5H3;(H,5,6,7);/q;;;+2/p-1.
What are the key properties of CID 11319285?
CID 11319285 has a molecular weight of 589.76 g/mol, XLogP of 6.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11319285 is sourced from PubChem (CID 11319285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).