2,3-bis(2-methylpropyl)cyclopenta-1,3-diene;ruthenium(1+)

C13H21Ru — CID 173066298

IUPAC2,3-bis(2-methylpropyl)cyclopenta-1,3-diene;ruthenium(1+)
SMILESCC(C)CC1=[C-]CC=C1CC(C)C.[Ru+]
InChIInChI=1S/C13H21.Ru/c1-10(2)8-12-6-5-7-13(12)9-11(3)4;/h6,10-11H,5,8-9H2,1-4H3;/q-1;+1
InChIKeyPSVDSKAGRKFOSN-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.14
Rot. Bonds4

About 2,3-bis(2-methylpropyl)cyclopenta-1,3-diene;ruthenium(1+)

2,3-bis(2-methylpropyl)cyclopenta-1,3-diene;ruthenium(1+) (PubChem CID 173066298) has the molecular formula C13H21Ru and a molecular weight of 278.38 g/mol. Its IUPAC name is 2,3-bis(2-methylpropyl)cyclopenta-1,3-diene;ruthenium(1+).

Molecular Properties

Compound Name2,3-bis(2-methylpropyl)cyclopenta-1,3-diene;ruthenium(1+)
PubChem CID173066298
Molecular FormulaC13H21Ru
Molecular Weight278.38 g/mol
Exact Mass279.07
IUPAC Name2,3-bis(2-methylpropyl)cyclopenta-1,3-diene;ruthenium(1+)
SMILESCC(C)CC1=[C-]CC=C1CC(C)C.[Ru+]
InChIInChI=1S/C13H21.Ru/c1-10(2)8-12-6-5-7-13(12)9-11(3)4;/h6,10-11H,5,8-9H2,1-4H3;/q-1;+1
InChIKeyPSVDSKAGRKFOSN-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-methylpropyl)cyclopenta-1,3-diene;ruthenium(1+)?
The IUPAC name of 2,3-bis(2-methylpropyl)cyclopenta-1,3-diene;ruthenium(1+) (CID 173066298) is 2,3-bis(2-methylpropyl)cyclopenta-1,3-diene;ruthenium(1+).
What is the SMILES notation for 2,3-bis(2-methylpropyl)cyclopenta-1,3-diene;ruthenium(1+)?
The canonical SMILES for 2,3-bis(2-methylpropyl)cyclopenta-1,3-diene;ruthenium(1+) is CC(C)CC1=[C-]CC=C1CC(C)C.[Ru+].
What is the InChIKey of 2,3-bis(2-methylpropyl)cyclopenta-1,3-diene;ruthenium(1+)?
The InChIKey is PSVDSKAGRKFOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21.Ru/c1-10(2)8-12-6-5-7-13(12)9-11(3)4;/h6,10-11H,5,8-9H2,1-4H3;/q-1;+1.
What are the key properties of 2,3-bis(2-methylpropyl)cyclopenta-1,3-diene;ruthenium(1+)?
2,3-bis(2-methylpropyl)cyclopenta-1,3-diene;ruthenium(1+) has a molecular weight of 278.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-methylpropyl)cyclopenta-1,3-diene;ruthenium(1+) is sourced from PubChem (CID 173066298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).