1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(3+);dichloride

C10H15Cl2Ru — CID 170852888

IUPAC1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(3+);dichloride
SMILESCc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-].[Ru+3]
InChIInChI=1S/C10H15.2ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;;;/h1-5H3;2*1H;/q-1;;;+3/p-2
InChIKeyCYZFXADFTDEWTL-UHFFFAOYSA-L
MW307.21 g/mol
LogP-3.05
Rot. Bonds

About 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(3+);dichloride

1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(3+);dichloride (PubChem CID 170852888) has the molecular formula C10H15Cl2Ru and a molecular weight of 307.21 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(3+);dichloride.

Molecular Properties

Compound Name1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(3+);dichloride
PubChem CID170852888
Molecular FormulaC10H15Cl2Ru
Molecular Weight307.21 g/mol
Exact Mass306.96
IUPAC Name1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(3+);dichloride
SMILESCc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-].[Ru+3]
InChIInChI=1S/C10H15.2ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;;;/h1-5H3;2*1H;/q-1;;;+3/p-2
InChIKeyCYZFXADFTDEWTL-UHFFFAOYSA-L
XLogP-3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 5-3.05
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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Related Compounds

Bis(pentamethylcyclopentadienyl)zirconium dichloride
CID 16058028
Sodium 1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-ide
CID 3650476
Potassium pentamethylcyclopentadienide
CID 10899176
Bis(dichloro(eta5-(pentamethylcyclopentadienyl))rhodium)
CID 71310421
Pentamethylcyclopentadienylhafnium(IV) trichloride
CID 146159670
Pentamethylcyclopentadienyliridium dichloride
CID 76030743
1,2,4,5-Tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene
CID 134842474
Hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride
CID 87375739
Bis(pentamethylcyclopentadiene)titanium dichloride
CID 585084
Lithium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 2734133
CID 3845663
CID 3845663
1,2,3,5-Tetramethylcyclopenta-1,3-diene
CID 5069407

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(3+);dichloride?
The IUPAC name of 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(3+);dichloride (CID 170852888) is 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(3+);dichloride.
What is the SMILES notation for 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(3+);dichloride?
The canonical SMILES for 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(3+);dichloride is Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-].[Ru+3].
What is the InChIKey of 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(3+);dichloride?
The InChIKey is CYZFXADFTDEWTL-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H15.2ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;;;/h1-5H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(3+);dichloride?
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(3+);dichloride has a molecular weight of 307.21 g/mol, XLogP of -3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(3+);dichloride is sourced from PubChem (CID 170852888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).