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

C12H19IO2Ru — CID 87463744

IUPACformaldehyde;iodoruthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESC=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.[Ru+]I
InChIInChI=1S/C10H15.2CH2O.HI.Ru/c1-7-6-10(4,5)9(3)8(7)2;2*1-2;;/h1-5H3;2*1H2;1H;/q-1;;;;+2/p-1
InChIKeyRAJCIWLTOUHNJY-UHFFFAOYSA-M
MW423.26 g/mol
LogP3.63
Rot. Bonds

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

formaldehyde;iodoruthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene (PubChem CID 87463744) has the molecular formula C12H19IO2Ru and a molecular weight of 423.26 g/mol. Its IUPAC name is formaldehyde;iodoruthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Nameformaldehyde;iodoruthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene
PubChem CID87463744
Molecular FormulaC12H19IO2Ru
Molecular Weight423.26 g/mol
Exact Mass423.95
IUPAC Nameformaldehyde;iodoruthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESC=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.[Ru+]I
InChIInChI=1S/C10H15.2CH2O.HI.Ru/c1-7-6-10(4,5)9(3)8(7)2;2*1-2;;/h1-5H3;2*1H2;1H;/q-1;;;;+2/p-1
InChIKeyRAJCIWLTOUHNJY-UHFFFAOYSA-M
XLogP3.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.26
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;iodoruthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of formaldehyde;iodoruthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene (CID 87463744) is formaldehyde;iodoruthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for formaldehyde;iodoruthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for formaldehyde;iodoruthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene is C=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.[Ru+]I.
What is the InChIKey of formaldehyde;iodoruthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is RAJCIWLTOUHNJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15.2CH2O.HI.Ru/c1-7-6-10(4,5)9(3)8(7)2;2*1-2;;/h1-5H3;2*1H2;1H;/q-1;;;;+2/p-1.
What are the key properties of formaldehyde;iodoruthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
formaldehyde;iodoruthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 423.26 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;iodoruthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 87463744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).