5-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;ruthenium

C16H22Ru-6 — CID 173046462

IUPAC5-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;ruthenium
SMILESCC(C)[c-]1[cH-][cH-][cH-][cH-]1.CC(C)[c-]1cccc1.[Ru]
InChIInChI=1S/2C8H11.Ru/c2*1-7(2)8-5-3-4-6-8;/h2*3-7H,1-2H3;/q-5;-1;
InChIKeyJMDCDDDMPHBBCT-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.06
Rot. Bonds2

About 5-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;ruthenium

5-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;ruthenium (PubChem CID 173046462) has the molecular formula C16H22Ru-6 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;ruthenium.

Molecular Properties

Compound Name5-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;ruthenium
PubChem CID173046462
Molecular FormulaC16H22Ru-6
Molecular Weight315.42 g/mol
Exact Mass316.08
IUPAC Name5-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;ruthenium
SMILESCC(C)[c-]1[cH-][cH-][cH-][cH-]1.CC(C)[c-]1cccc1.[Ru]
InChIInChI=1S/2C8H11.Ru/c2*1-7(2)8-5-3-4-6-8;/h2*3-7H,1-2H3;/q-5;-1;
InChIKeyJMDCDDDMPHBBCT-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.06
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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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;ruthenium?
The IUPAC name of 5-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;ruthenium (CID 173046462) is 5-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;ruthenium.
What is the SMILES notation for 5-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;ruthenium?
The canonical SMILES for 5-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;ruthenium is CC(C)[c-]1[cH-][cH-][cH-][cH-]1.CC(C)[c-]1cccc1.[Ru].
What is the InChIKey of 5-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;ruthenium?
The InChIKey is JMDCDDDMPHBBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11.Ru/c2*1-7(2)8-5-3-4-6-8;/h2*3-7H,1-2H3;/q-5;-1;.
What are the key properties of 5-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;ruthenium?
5-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;ruthenium has a molecular weight of 315.42 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;ruthenium is sourced from PubChem (CID 173046462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).