bis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+)

C26H46Ru — CID 173040884

IUPACbis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+)
SMILES[H]/[C-]=C(\C=C(\C)C(C)(C)C)C(C)(C)C.[H]/[C-]=C(\C=C(\C)C(C)(C)C)C(C)(C)C.[Ru+2]
InChIInChI=1S/2C13H23.Ru/c2*1-10(12(3,4)5)9-11(2)13(6,7)8;/h2*1,9H,2-8H3;/q2*-1;+2/b2*11-9-;
InChIKeyIEKXCOCMJHUZJU-UNNWALPCSA-N
MW459.72 g/mol
LogP8.77
Rot. Bonds2

About bis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+)

bis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+) (PubChem CID 173040884) has the molecular formula C26H46Ru and a molecular weight of 459.72 g/mol. Its IUPAC name is bis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+).

Molecular Properties

Compound Namebis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+)
PubChem CID173040884
Molecular FormulaC26H46Ru
Molecular Weight459.72 g/mol
Exact Mass460.26
IUPAC Namebis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+)
SMILES[H]/[C-]=C(\C=C(\C)C(C)(C)C)C(C)(C)C.[H]/[C-]=C(\C=C(\C)C(C)(C)C)C(C)(C)C.[Ru+2]
InChIInChI=1S/2C13H23.Ru/c2*1-10(12(3,4)5)9-11(2)13(6,7)8;/h2*1,9H,2-8H3;/q2*-1;+2/b2*11-9-;
InChIKeyIEKXCOCMJHUZJU-UNNWALPCSA-N
XLogP8.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.72
LogP ≤ 58.77
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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Frequently Asked Questions

What is the IUPAC name of bis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+)?
The IUPAC name of bis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+) (CID 173040884) is bis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+).
What is the SMILES notation for bis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+)?
The canonical SMILES for bis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+) is [H]/[C-]=C(\C=C(\C)C(C)(C)C)C(C)(C)C.[H]/[C-]=C(\C=C(\C)C(C)(C)C)C(C)(C)C.[Ru+2].
What is the InChIKey of bis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+)?
The InChIKey is IEKXCOCMJHUZJU-UNNWALPCSA-N. The full InChI is InChI=1S/2C13H23.Ru/c2*1-10(12(3,4)5)9-11(2)13(6,7)8;/h2*1,9H,2-8H3;/q2*-1;+2/b2*11-9-;.
What are the key properties of bis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+)?
bis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+) has a molecular weight of 459.72 g/mol, XLogP of 8.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+) is sourced from PubChem (CID 173040884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).