bis((3E)-octa-1,3-diene);ruthenium

C16H28Ru — CID 173228817

IUPACbis((3E)-octa-1,3-diene);ruthenium
SMILESC=C/C=C/CCCC.C=C/C=C/CCCC.[Ru]
InChIInChI=1S/2C8H14.Ru/c2*1-3-5-7-8-6-4-2;/h2*3,5,7H,1,4,6,8H2,2H3;/b2*7-5+;
InChIKeyYCJABZQCRHJPDI-XXXYRMOLSA-N
MW321.47 g/mol
LogP5.84
Rot. Bonds8

About bis((3E)-octa-1,3-diene);ruthenium

bis((3E)-octa-1,3-diene);ruthenium (PubChem CID 173228817) has the molecular formula C16H28Ru and a molecular weight of 321.47 g/mol. Its IUPAC name is bis((3E)-octa-1,3-diene);ruthenium.

Molecular Properties

Compound Namebis((3E)-octa-1,3-diene);ruthenium
PubChem CID173228817
Molecular FormulaC16H28Ru
Molecular Weight321.47 g/mol
Exact Mass322.12
IUPAC Namebis((3E)-octa-1,3-diene);ruthenium
SMILESC=C/C=C/CCCC.C=C/C=C/CCCC.[Ru]
InChIInChI=1S/2C8H14.Ru/c2*1-3-5-7-8-6-4-2;/h2*3,5,7H,1,4,6,8H2,2H3;/b2*7-5+;
InChIKeyYCJABZQCRHJPDI-XXXYRMOLSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.47
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91195237
(3Z)-heptadeca-1,3,9-triene
CID 175589298
hexadeca-1,3,8-triene
CID 174048674
undeca-1,3-diene;undec-1-ene
CID 159743461
(3Z)-hepta-1,3-diene
CID 6427773
dioxotitanium;tetradeca-1,3-diene
CID 174751058
octadeca-1,3,5,7,9,11-hexaene
CID 90906281
tricosa-1,3,5,7-tetraene
CID 90704431
hexacosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91421045
henicosa-1,3,5,7,9,11,13-heptaene
CID 90898845
(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene
CID 173021038
(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene
CID 173020960

Frequently Asked Questions

What is the IUPAC name of bis((3E)-octa-1,3-diene);ruthenium?
The IUPAC name of bis((3E)-octa-1,3-diene);ruthenium (CID 173228817) is bis((3E)-octa-1,3-diene);ruthenium.
What is the SMILES notation for bis((3E)-octa-1,3-diene);ruthenium?
The canonical SMILES for bis((3E)-octa-1,3-diene);ruthenium is C=C/C=C/CCCC.C=C/C=C/CCCC.[Ru].
What is the InChIKey of bis((3E)-octa-1,3-diene);ruthenium?
The InChIKey is YCJABZQCRHJPDI-XXXYRMOLSA-N. The full InChI is InChI=1S/2C8H14.Ru/c2*1-3-5-7-8-6-4-2;/h2*3,5,7H,1,4,6,8H2,2H3;/b2*7-5+;.
What are the key properties of bis((3E)-octa-1,3-diene);ruthenium?
bis((3E)-octa-1,3-diene);ruthenium has a molecular weight of 321.47 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3E)-octa-1,3-diene);ruthenium is sourced from PubChem (CID 173228817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).