bis(8-methanidyloxyoct-1-yne);rutherfordium

C18H30O2Rf-2 — CID 162713137

IUPACbis(8-methanidyloxyoct-1-yne);rutherfordium
SMILESC#CCCCCCCO[CH2-].C#CCCCCCCO[CH2-].[Rf]
InChIInChI=1S/2C9H15O.Rf/c2*1-3-4-5-6-7-8-9-10-2;/h2*1H,2,4-9H2;/q2*-1;
InChIKeySNAXTCYHZQRNFZ-UHFFFAOYSA-N
MW545.44 g/mol
LogP4.76
Rot. Bonds12

About bis(8-methanidyloxyoct-1-yne);rutherfordium

bis(8-methanidyloxyoct-1-yne);rutherfordium (PubChem CID 162713137) has the molecular formula C18H30O2Rf-2 and a molecular weight of 545.44 g/mol. Its IUPAC name is bis(8-methanidyloxyoct-1-yne);rutherfordium.

Molecular Properties

Compound Namebis(8-methanidyloxyoct-1-yne);rutherfordium
PubChem CID162713137
Molecular FormulaC18H30O2Rf-2
Molecular Weight545.44 g/mol
Exact Mass545.35
IUPAC Namebis(8-methanidyloxyoct-1-yne);rutherfordium
SMILESC#CCCCCCCO[CH2-].C#CCCCCCCO[CH2-].[Rf]
InChIInChI=1S/2C9H15O.Rf/c2*1-3-4-5-6-7-8-9-10-2;/h2*1H,2,4-9H2;/q2*-1;
InChIKeySNAXTCYHZQRNFZ-UHFFFAOYSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze bis(8-methanidyloxyoct-1-yne);rutherfordium 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 bis(8-methanidyloxyoct-1-yne);rutherfordium?
The IUPAC name of bis(8-methanidyloxyoct-1-yne);rutherfordium (CID 162713137) is bis(8-methanidyloxyoct-1-yne);rutherfordium.
What is the SMILES notation for bis(8-methanidyloxyoct-1-yne);rutherfordium?
The canonical SMILES for bis(8-methanidyloxyoct-1-yne);rutherfordium is C#CCCCCCCO[CH2-].C#CCCCCCCO[CH2-].[Rf].
What is the InChIKey of bis(8-methanidyloxyoct-1-yne);rutherfordium?
The InChIKey is SNAXTCYHZQRNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H15O.Rf/c2*1-3-4-5-6-7-8-9-10-2;/h2*1H,2,4-9H2;/q2*-1;.
What are the key properties of bis(8-methanidyloxyoct-1-yne);rutherfordium?
bis(8-methanidyloxyoct-1-yne);rutherfordium has a molecular weight of 545.44 g/mol, XLogP of 4.76, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-methanidyloxyoct-1-yne);rutherfordium is sourced from PubChem (CID 162713137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).