isocyanomethylcyclohexane;methanone;2-methylpropane;ruthenium(4+)

C14H24NO2Ru+ — CID 169317292

IUPACisocyanomethylcyclohexane;methanone;2-methylpropane;ruthenium(4+)
SMILESC[C-](C)C.[C-]#[N+]CC1CCCCC1.[CH-]=O.[CH-]=O.[Ru+4]
InChIInChI=1S/C8H13N.C4H9.2CHO.Ru/c1-9-7-8-5-3-2-4-6-8;1-4(2)3;2*1-2;/h8H,2-7H2;1-3H3;2*1H;/q;3*-1;+4
InChIKeyONRFJEMJDPSCAV-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.56
Rot. Bonds1

About isocyanomethylcyclohexane;methanone;2-methylpropane;ruthenium(4+)

isocyanomethylcyclohexane;methanone;2-methylpropane;ruthenium(4+) (PubChem CID 169317292) has the molecular formula C14H24NO2Ru+ and a molecular weight of 339.42 g/mol. Its IUPAC name is isocyanomethylcyclohexane;methanone;2-methylpropane;ruthenium(4+).

Molecular Properties

Compound Nameisocyanomethylcyclohexane;methanone;2-methylpropane;ruthenium(4+)
PubChem CID169317292
Molecular FormulaC14H24NO2Ru+
Molecular Weight339.42 g/mol
Exact Mass340.08
IUPAC Nameisocyanomethylcyclohexane;methanone;2-methylpropane;ruthenium(4+)
SMILESC[C-](C)C.[C-]#[N+]CC1CCCCC1.[CH-]=O.[CH-]=O.[Ru+4]
InChIInChI=1S/C8H13N.C4H9.2CHO.Ru/c1-9-7-8-5-3-2-4-6-8;1-4(2)3;2*1-2;/h8H,2-7H2;1-3H3;2*1H;/q;3*-1;+4
InChIKeyONRFJEMJDPSCAV-UHFFFAOYSA-N
XLogP3.56
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of isocyanomethylcyclohexane;methanone;2-methylpropane;ruthenium(4+)?
The IUPAC name of isocyanomethylcyclohexane;methanone;2-methylpropane;ruthenium(4+) (CID 169317292) is isocyanomethylcyclohexane;methanone;2-methylpropane;ruthenium(4+).
What is the SMILES notation for isocyanomethylcyclohexane;methanone;2-methylpropane;ruthenium(4+)?
The canonical SMILES for isocyanomethylcyclohexane;methanone;2-methylpropane;ruthenium(4+) is C[C-](C)C.[C-]#[N+]CC1CCCCC1.[CH-]=O.[CH-]=O.[Ru+4].
What is the InChIKey of isocyanomethylcyclohexane;methanone;2-methylpropane;ruthenium(4+)?
The InChIKey is ONRFJEMJDPSCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C4H9.2CHO.Ru/c1-9-7-8-5-3-2-4-6-8;1-4(2)3;2*1-2;/h8H,2-7H2;1-3H3;2*1H;/q;3*-1;+4.
What are the key properties of isocyanomethylcyclohexane;methanone;2-methylpropane;ruthenium(4+)?
isocyanomethylcyclohexane;methanone;2-methylpropane;ruthenium(4+) has a molecular weight of 339.42 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanomethylcyclohexane;methanone;2-methylpropane;ruthenium(4+) is sourced from PubChem (CID 169317292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).