1,2-bis(2-methylprop-2-enyl)cycloocta-1,5-diene;ruthenium

C16H24Ru — CID 173117449

IUPAC1,2-bis(2-methylprop-2-enyl)cycloocta-1,5-diene;ruthenium
SMILESC=C(C)CC1=C(CC(=C)C)CCC=CCC1.[Ru]
InChIInChI=1S/C16H24.Ru/c1-13(2)11-15-9-7-5-6-8-10-16(15)12-14(3)4;/h5-6H,1,3,7-12H2,2,4H3;
InChIKeyORGUNVVHRJJMKX-UHFFFAOYSA-N
MW317.44 g/mol
LogP5.34
Rot. Bonds4

About 1,2-bis(2-methylprop-2-enyl)cycloocta-1,5-diene;ruthenium

1,2-bis(2-methylprop-2-enyl)cycloocta-1,5-diene;ruthenium (PubChem CID 173117449) has the molecular formula C16H24Ru and a molecular weight of 317.44 g/mol. Its IUPAC name is 1,2-bis(2-methylprop-2-enyl)cycloocta-1,5-diene;ruthenium.

Molecular Properties

Compound Name1,2-bis(2-methylprop-2-enyl)cycloocta-1,5-diene;ruthenium
PubChem CID173117449
Molecular FormulaC16H24Ru
Molecular Weight317.44 g/mol
Exact Mass318.09
IUPAC Name1,2-bis(2-methylprop-2-enyl)cycloocta-1,5-diene;ruthenium
SMILESC=C(C)CC1=C(CC(=C)C)CCC=CCC1.[Ru]
InChIInChI=1S/C16H24.Ru/c1-13(2)11-15-9-7-5-6-8-10-16(15)12-14(3)4;/h5-6H,1,3,7-12H2,2,4H3;
InChIKeyORGUNVVHRJJMKX-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.44
LogP ≤ 55.34
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 1,2-bis(2-methylprop-2-enyl)cycloocta-1,5-diene;ruthenium?
The IUPAC name of 1,2-bis(2-methylprop-2-enyl)cycloocta-1,5-diene;ruthenium (CID 173117449) is 1,2-bis(2-methylprop-2-enyl)cycloocta-1,5-diene;ruthenium.
What is the SMILES notation for 1,2-bis(2-methylprop-2-enyl)cycloocta-1,5-diene;ruthenium?
The canonical SMILES for 1,2-bis(2-methylprop-2-enyl)cycloocta-1,5-diene;ruthenium is C=C(C)CC1=C(CC(=C)C)CCC=CCC1.[Ru].
What is the InChIKey of 1,2-bis(2-methylprop-2-enyl)cycloocta-1,5-diene;ruthenium?
The InChIKey is ORGUNVVHRJJMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.Ru/c1-13(2)11-15-9-7-5-6-8-10-16(15)12-14(3)4;/h5-6H,1,3,7-12H2,2,4H3;.
What are the key properties of 1,2-bis(2-methylprop-2-enyl)cycloocta-1,5-diene;ruthenium?
1,2-bis(2-methylprop-2-enyl)cycloocta-1,5-diene;ruthenium has a molecular weight of 317.44 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylprop-2-enyl)cycloocta-1,5-diene;ruthenium is sourced from PubChem (CID 173117449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).