1-but-2-enylcycloocta-1,3-diene;ruthenium

C12H18Ru — CID 173229363

IUPAC1-but-2-enylcycloocta-1,3-diene;ruthenium
SMILESCC=CCC1=CC=CCCCC1.[Ru]
InChIInChI=1S/C12H18.Ru/c1-2-3-9-12-10-7-5-4-6-8-11-12;/h2-3,5,7,10H,4,6,8-9,11H2,1H3;
InChIKeyUCEWFOMLWSCIFO-UHFFFAOYSA-N
MW263.35 g/mol
LogP4.01
Rot. Bonds2

About 1-but-2-enylcycloocta-1,3-diene;ruthenium

1-but-2-enylcycloocta-1,3-diene;ruthenium (PubChem CID 173229363) has the molecular formula C12H18Ru and a molecular weight of 263.35 g/mol. Its IUPAC name is 1-but-2-enylcycloocta-1,3-diene;ruthenium.

Molecular Properties

Compound Name1-but-2-enylcycloocta-1,3-diene;ruthenium
PubChem CID173229363
Molecular FormulaC12H18Ru
Molecular Weight263.35 g/mol
Exact Mass264.05
IUPAC Name1-but-2-enylcycloocta-1,3-diene;ruthenium
SMILESCC=CCC1=CC=CCCCC1.[Ru]
InChIInChI=1S/C12H18.Ru/c1-2-3-9-12-10-7-5-4-6-8-11-12;/h2-3,5,7,10H,4,6,8-9,11H2,1H3;
InChIKeyUCEWFOMLWSCIFO-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-2-enylcycloocta-1,3-diene;ruthenium?
The IUPAC name of 1-but-2-enylcycloocta-1,3-diene;ruthenium (CID 173229363) is 1-but-2-enylcycloocta-1,3-diene;ruthenium.
What is the SMILES notation for 1-but-2-enylcycloocta-1,3-diene;ruthenium?
The canonical SMILES for 1-but-2-enylcycloocta-1,3-diene;ruthenium is CC=CCC1=CC=CCCCC1.[Ru].
What is the InChIKey of 1-but-2-enylcycloocta-1,3-diene;ruthenium?
The InChIKey is UCEWFOMLWSCIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.Ru/c1-2-3-9-12-10-7-5-4-6-8-11-12;/h2-3,5,7,10H,4,6,8-9,11H2,1H3;.
What are the key properties of 1-but-2-enylcycloocta-1,3-diene;ruthenium?
1-but-2-enylcycloocta-1,3-diene;ruthenium has a molecular weight of 263.35 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enylcycloocta-1,3-diene;ruthenium is sourced from PubChem (CID 173229363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).