bis(4-methanidyl-2-methylpenta-1,3-diene);ruthenium(6+)

C14H18Ru — CID 170920823

IUPACbis(4-methanidyl-2-methylpenta-1,3-diene);ruthenium(6+)
SMILES[H]/[C-]=C(C)/[C-]=C(\[CH2-])C.[H]/[C-]=C(\C)[C-]=C([CH2-])C.[Ru+6]
InChIInChI=1S/2C7H9.Ru/c2*1-6(2)5-7(3)4;/h2*1H,3H2,2,4H3;/q2*-3;+6
InChIKeyYGFLYAVWQWHHGI-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.90
Rot. Bonds2

About bis(4-methanidyl-2-methylpenta-1,3-diene);ruthenium(6+)

bis(4-methanidyl-2-methylpenta-1,3-diene);ruthenium(6+) (PubChem CID 170920823) has the molecular formula C14H18Ru and a molecular weight of 287.37 g/mol. Its IUPAC name is bis(4-methanidyl-2-methylpenta-1,3-diene);ruthenium(6+).

Molecular Properties

Compound Namebis(4-methanidyl-2-methylpenta-1,3-diene);ruthenium(6+)
PubChem CID170920823
Molecular FormulaC14H18Ru
Molecular Weight287.37 g/mol
Exact Mass288.05
IUPAC Namebis(4-methanidyl-2-methylpenta-1,3-diene);ruthenium(6+)
SMILES[H]/[C-]=C(C)/[C-]=C(\[CH2-])C.[H]/[C-]=C(\C)[C-]=C([CH2-])C.[Ru+6]
InChIInChI=1S/2C7H9.Ru/c2*1-6(2)5-7(3)4;/h2*1H,3H2,2,4H3;/q2*-3;+6
InChIKeyYGFLYAVWQWHHGI-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 58172805
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CID 20609735
bis(2-methylbuta-1,3-diene);nickel(2+)
CID 173162838
lithium;copper(1+);bis(2-methylbut-1-ene)
CID 134893584
2-methanidylprop-1-ene;nickel
CID 173298029
2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten
CID 140525116
N-but-2-en-2-ylmethanimine;uranium;vanadium
CID 59967511
(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127

Frequently Asked Questions

What is the IUPAC name of bis(4-methanidyl-2-methylpenta-1,3-diene);ruthenium(6+)?
The IUPAC name of bis(4-methanidyl-2-methylpenta-1,3-diene);ruthenium(6+) (CID 170920823) is bis(4-methanidyl-2-methylpenta-1,3-diene);ruthenium(6+).
What is the SMILES notation for bis(4-methanidyl-2-methylpenta-1,3-diene);ruthenium(6+)?
The canonical SMILES for bis(4-methanidyl-2-methylpenta-1,3-diene);ruthenium(6+) is [H]/[C-]=C(C)/[C-]=C(\[CH2-])C.[H]/[C-]=C(\C)[C-]=C([CH2-])C.[Ru+6].
What is the InChIKey of bis(4-methanidyl-2-methylpenta-1,3-diene);ruthenium(6+)?
The InChIKey is YGFLYAVWQWHHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9.Ru/c2*1-6(2)5-7(3)4;/h2*1H,3H2,2,4H3;/q2*-3;+6.
What are the key properties of bis(4-methanidyl-2-methylpenta-1,3-diene);ruthenium(6+)?
bis(4-methanidyl-2-methylpenta-1,3-diene);ruthenium(6+) has a molecular weight of 287.37 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methanidyl-2-methylpenta-1,3-diene);ruthenium(6+) is sourced from PubChem (CID 170920823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).