ruthenium;tridecanal

C13H26ORu — CID 175429355

IUPACruthenium;tridecanal
SMILESCCCCCCCCCCCCC=O.[Ru]
InChIInChI=1S/C13H26O.Ru/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;/h13H,2-12H2,1H3;
InChIKeySZWKBFXPHQEUOC-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.49
Rot. Bonds11

About ruthenium;tridecanal

ruthenium;tridecanal (PubChem CID 175429355) has the molecular formula C13H26ORu and a molecular weight of 299.42 g/mol. Its IUPAC name is ruthenium;tridecanal.

Molecular Properties

Compound Nameruthenium;tridecanal
PubChem CID175429355
Molecular FormulaC13H26ORu
Molecular Weight299.42 g/mol
Exact Mass300.10
IUPAC Nameruthenium;tridecanal
SMILESCCCCCCCCCCCCC=O.[Ru]
InChIInChI=1S/C13H26O.Ru/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;/h13H,2-12H2,1H3;
InChIKeySZWKBFXPHQEUOC-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-tetradec-8-enal
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(E)-heptadec-6-enal
CID 122214705

Frequently Asked Questions

What is the IUPAC name of ruthenium;tridecanal?
The IUPAC name of ruthenium;tridecanal (CID 175429355) is ruthenium;tridecanal.
What is the SMILES notation for ruthenium;tridecanal?
The canonical SMILES for ruthenium;tridecanal is CCCCCCCCCCCCC=O.[Ru].
What is the InChIKey of ruthenium;tridecanal?
The InChIKey is SZWKBFXPHQEUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O.Ru/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;/h13H,2-12H2,1H3;.
What are the key properties of ruthenium;tridecanal?
ruthenium;tridecanal has a molecular weight of 299.42 g/mol, XLogP of 4.49, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium;tridecanal is sourced from PubChem (CID 175429355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).