1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium

C10H15ClRu — CID 87244974

IUPAC1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium
SMILESCC1=C(C)C(C)(C)C(Cl)=C1C.[Ru]
InChIInChI=1S/C10H15Cl.Ru/c1-6-7(2)9(11)10(4,5)8(6)3;/h1-5H3;
InChIKeyBDYNLVBIXAWFOI-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.87
Rot. Bonds

About 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium

1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium (PubChem CID 87244974) has the molecular formula C10H15ClRu and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium.

Molecular Properties

Compound Name1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium
PubChem CID87244974
Molecular FormulaC10H15ClRu
Molecular Weight271.75 g/mol
Exact Mass271.99
IUPAC Name1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium
SMILESCC1=C(C)C(C)(C)C(Cl)=C1C.[Ru]
InChIInChI=1S/C10H15Cl.Ru/c1-6-7(2)9(11)10(4,5)8(6)3;/h1-5H3;
InChIKeyBDYNLVBIXAWFOI-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium?
The IUPAC name of 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium (CID 87244974) is 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium.
What is the SMILES notation for 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium?
The canonical SMILES for 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium is CC1=C(C)C(C)(C)C(Cl)=C1C.[Ru].
What is the InChIKey of 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium?
The InChIKey is BDYNLVBIXAWFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl.Ru/c1-6-7(2)9(11)10(4,5)8(6)3;/h1-5H3;.
What are the key properties of 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium?
1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium has a molecular weight of 271.75 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium is sourced from PubChem (CID 87244974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).