formaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)

C13H22O3Ru — CID 87465567

IUPACformaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)
SMILESC=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.[CH2-]O.[Ru+2]
InChIInChI=1S/C10H15.CH3O.2CH2O.Ru/c1-7-6-10(4,5)9(3)8(7)2;3*1-2;/h1-5H3;2H,1H2;2*1H2;/q2*-1;;;+2
InChIKeyAJLZBJRCPYHERM-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.89
Rot. Bonds

About formaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)

formaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+) (PubChem CID 87465567) has the molecular formula C13H22O3Ru and a molecular weight of 327.39 g/mol. Its IUPAC name is formaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+).

Molecular Properties

Compound Nameformaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)
PubChem CID87465567
Molecular FormulaC13H22O3Ru
Molecular Weight327.39 g/mol
Exact Mass328.06
IUPAC Nameformaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)
SMILESC=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.[CH2-]O.[Ru+2]
InChIInChI=1S/C10H15.CH3O.2CH2O.Ru/c1-7-6-10(4,5)9(3)8(7)2;3*1-2;/h1-5H3;2H,1H2;2*1H2;/q2*-1;;;+2
InChIKeyAJLZBJRCPYHERM-UHFFFAOYSA-N
XLogP2.89
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 formaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)?
The IUPAC name of formaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+) (CID 87465567) is formaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+).
What is the SMILES notation for formaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)?
The canonical SMILES for formaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+) is C=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.[CH2-]O.[Ru+2].
What is the InChIKey of formaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)?
The InChIKey is AJLZBJRCPYHERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.CH3O.2CH2O.Ru/c1-7-6-10(4,5)9(3)8(7)2;3*1-2;/h1-5H3;2H,1H2;2*1H2;/q2*-1;;;+2.
What are the key properties of formaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)?
formaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+) has a molecular weight of 327.39 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+) is sourced from PubChem (CID 87465567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).