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

C12H19BrO2Ru — CID 87463846

IUPACbromoruthenium(1+);formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESBr[Ru+].C=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C
InChIInChI=1S/C10H15.2CH2O.BrH.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
InChIKeySTQDZZHXMVPXJI-UHFFFAOYSA-M
MW376.26 g/mol
LogP3.59
Rot. Bonds

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

bromoruthenium(1+);formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene (PubChem CID 87463846) has the molecular formula C12H19BrO2Ru and a molecular weight of 376.26 g/mol. Its IUPAC name is bromoruthenium(1+);formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namebromoruthenium(1+);formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
PubChem CID87463846
Molecular FormulaC12H19BrO2Ru
Molecular Weight376.26 g/mol
Exact Mass375.96
IUPAC Namebromoruthenium(1+);formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESBr[Ru+].C=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C
InChIInChI=1S/C10H15.2CH2O.BrH.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
InChIKeySTQDZZHXMVPXJI-UHFFFAOYSA-M
XLogP3.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 bromoruthenium(1+);formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of bromoruthenium(1+);formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene (CID 87463846) is bromoruthenium(1+);formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for bromoruthenium(1+);formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for bromoruthenium(1+);formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene is Br[Ru+].C=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.
What is the InChIKey of bromoruthenium(1+);formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is STQDZZHXMVPXJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15.2CH2O.BrH.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 bromoruthenium(1+);formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
bromoruthenium(1+);formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 376.26 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromoruthenium(1+);formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 87463846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).