CID 58112670

C17H24Cl2O3RuSi — CID 58112670

IUPAC—
SMILESC[Si]CCCCC(=O)OCc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1
InChIInChI=1S/C17H24O3Si.2ClH.Ru/c1-13(2)20-16-9-8-15(11-14(16)3)12-19-17(18)7-5-6-10-21-4;;;/h3,8-9,11,13H,5-7,10,12H2,1-2,4H3;2*1H;/q;;;+2/p-2
InChIKeyAZIGTKRPVRYRBQ-UHFFFAOYSA-L
MW476.44 g/mol
LogP4.93
Rot. Bonds10

About CID 58112670

CID 58112670 (PubChem CID 58112670) has the molecular formula C17H24Cl2O3RuSi and a molecular weight of 476.44 g/mol.

Molecular Properties

Compound NameCID 58112670
PubChem CID58112670
Molecular FormulaC17H24Cl2O3RuSi
Molecular Weight476.44 g/mol
Exact Mass475.99
IUPAC Name—
SMILESC[Si]CCCCC(=O)OCc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1
InChIInChI=1S/C17H24O3Si.2ClH.Ru/c1-13(2)20-16-9-8-15(11-14(16)3)12-19-17(18)7-5-6-10-21-4;;;/h3,8-9,11,13H,5-7,10,12H2,1-2,4H3;2*1H;/q;;;+2/p-2
InChIKeyAZIGTKRPVRYRBQ-UHFFFAOYSA-L
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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cyclopentane;dichloro-[[5-[3-[(1R)-2-[(E)-3-[chloro(dimethyl)silyl]prop-1-enyl]-5-ethenylcyclopentyl]oxy-3-oxopropyl]-2-propan-2-yloxyphenyl]methylidene]ruthenium
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Frequently Asked Questions

What is the IUPAC name of CID 58112670?
The IUPAC name of CID 58112670 (CID 58112670) is not available.
What is the SMILES notation for CID 58112670?
The canonical SMILES for CID 58112670 is C[Si]CCCCC(=O)OCc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1.
What is the InChIKey of CID 58112670?
The InChIKey is AZIGTKRPVRYRBQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H24O3Si.2ClH.Ru/c1-13(2)20-16-9-8-15(11-14(16)3)12-19-17(18)7-5-6-10-21-4;;;/h3,8-9,11,13H,5-7,10,12H2,1-2,4H3;2*1H;/q;;;+2/p-2.
What are the key properties of CID 58112670?
CID 58112670 has a molecular weight of 476.44 g/mol, XLogP of 4.93, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58112670 is sourced from PubChem (CID 58112670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).