ruthenium;1,1,1-triethoxydecane

C16H34O3Ru — CID 157324278

IUPACruthenium;1,1,1-triethoxydecane
SMILESCCCCCCCCCC(OCC)(OCC)OCC.[Ru]
InChIInChI=1S/C16H34O3.Ru/c1-5-9-10-11-12-13-14-15-16(17-6-2,18-7-3)19-8-4;/h5-15H2,1-4H3;
InChIKeyBENJHISCEZUNDR-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.89
Rot. Bonds14

About ruthenium;1,1,1-triethoxydecane

ruthenium;1,1,1-triethoxydecane (PubChem CID 157324278) has the molecular formula C16H34O3Ru and a molecular weight of 375.52 g/mol. Its IUPAC name is ruthenium;1,1,1-triethoxydecane.

Molecular Properties

Compound Nameruthenium;1,1,1-triethoxydecane
PubChem CID157324278
Molecular FormulaC16H34O3Ru
Molecular Weight375.52 g/mol
Exact Mass376.16
IUPAC Nameruthenium;1,1,1-triethoxydecane
SMILESCCCCCCCCCC(OCC)(OCC)OCC.[Ru]
InChIInChI=1S/C16H34O3.Ru/c1-5-9-10-11-12-13-14-15-16(17-6-2,18-7-3)19-8-4;/h5-15H2,1-4H3;
InChIKeyBENJHISCEZUNDR-UHFFFAOYSA-N
XLogP4.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ruthenium;1,1,1-triethoxydecane with MolForge

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

Launch Full Analysis

Related Compounds

CID 156790678
CID 156790678
10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine
CID 150717186
1,1-diethoxydodecyl hydrogen sulfate
CID 22673001
N-(3,3,3-triethoxypropyl)undecan-1-amine
CID 159840900
1,1,1-triethoxy-10-(propyldisulfanyl)decane
CID 150716554
2,2-diethoxynonane
CID 89439020
2-ethoxy-2-methylundecane
CID 150956805
1-heptoxy-1-hexoxy-9-octylperoxy-1-pentoxynonane
CID 141003056
1,1,1-trimethoxytridecane
CID 102481821
1,1,1-triethoxy-11-ethyltetradecane
CID 150375799
8,8,8-triethoxyoctan-3-amine
CID 162686266
CID 177243868
CID 177243868

Frequently Asked Questions

What is the IUPAC name of ruthenium;1,1,1-triethoxydecane?
The IUPAC name of ruthenium;1,1,1-triethoxydecane (CID 157324278) is ruthenium;1,1,1-triethoxydecane.
What is the SMILES notation for ruthenium;1,1,1-triethoxydecane?
The canonical SMILES for ruthenium;1,1,1-triethoxydecane is CCCCCCCCCC(OCC)(OCC)OCC.[Ru].
What is the InChIKey of ruthenium;1,1,1-triethoxydecane?
The InChIKey is BENJHISCEZUNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3.Ru/c1-5-9-10-11-12-13-14-15-16(17-6-2,18-7-3)19-8-4;/h5-15H2,1-4H3;.
What are the key properties of ruthenium;1,1,1-triethoxydecane?
ruthenium;1,1,1-triethoxydecane has a molecular weight of 375.52 g/mol, XLogP of 4.89, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium;1,1,1-triethoxydecane is sourced from PubChem (CID 157324278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).