cyclopentane;(2-dipropylphosphanylcyclopenta-2,4-dien-1-yl)-dipropylphosphane;ruthenium

C22H36P2Ru-6 — CID 90111832

IUPACcyclopentane;(2-dipropylphosphanylcyclopenta-2,4-dien-1-yl)-dipropylphosphane;ruthenium
SMILESCCCP(CCC)c1ccc[c-]1P(CCC)CCC.[Ru].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C17H31P2.C5H5.Ru/c1-5-12-18(13-6-2)16-10-9-11-17(16)19(14-7-3)15-8-4;1-2-4-5-3-1;/h9-11H,5-8,12-15H2,1-4H3;1-5H;/q-1;-5;
InChIKeyHRUYSDAXABMMBL-UHFFFAOYSA-N
MW463.55 g/mol
LogP6.66
Rot. Bonds10

About cyclopentane;(2-dipropylphosphanylcyclopenta-2,4-dien-1-yl)-dipropylphosphane;ruthenium

cyclopentane;(2-dipropylphosphanylcyclopenta-2,4-dien-1-yl)-dipropylphosphane;ruthenium (PubChem CID 90111832) has the molecular formula C22H36P2Ru-6 and a molecular weight of 463.55 g/mol. Its IUPAC name is cyclopentane;(2-dipropylphosphanylcyclopenta-2,4-dien-1-yl)-dipropylphosphane;ruthenium.

Molecular Properties

Compound Namecyclopentane;(2-dipropylphosphanylcyclopenta-2,4-dien-1-yl)-dipropylphosphane;ruthenium
PubChem CID90111832
Molecular FormulaC22H36P2Ru-6
Molecular Weight463.55 g/mol
Exact Mass464.14
IUPAC Namecyclopentane;(2-dipropylphosphanylcyclopenta-2,4-dien-1-yl)-dipropylphosphane;ruthenium
SMILESCCCP(CCC)c1ccc[c-]1P(CCC)CCC.[Ru].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C17H31P2.C5H5.Ru/c1-5-12-18(13-6-2)16-10-9-11-17(16)19(14-7-3)15-8-4;1-2-4-5-3-1;/h9-11H,5-8,12-15H2,1-4H3;1-5H;/q-1;-5;
InChIKeyHRUYSDAXABMMBL-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.55
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;(2-dipropylphosphanylcyclopenta-2,4-dien-1-yl)-dipropylphosphane;ruthenium?
The IUPAC name of cyclopentane;(2-dipropylphosphanylcyclopenta-2,4-dien-1-yl)-dipropylphosphane;ruthenium (CID 90111832) is cyclopentane;(2-dipropylphosphanylcyclopenta-2,4-dien-1-yl)-dipropylphosphane;ruthenium.
What is the SMILES notation for cyclopentane;(2-dipropylphosphanylcyclopenta-2,4-dien-1-yl)-dipropylphosphane;ruthenium?
The canonical SMILES for cyclopentane;(2-dipropylphosphanylcyclopenta-2,4-dien-1-yl)-dipropylphosphane;ruthenium is CCCP(CCC)c1ccc[c-]1P(CCC)CCC.[Ru].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;(2-dipropylphosphanylcyclopenta-2,4-dien-1-yl)-dipropylphosphane;ruthenium?
The InChIKey is HRUYSDAXABMMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31P2.C5H5.Ru/c1-5-12-18(13-6-2)16-10-9-11-17(16)19(14-7-3)15-8-4;1-2-4-5-3-1;/h9-11H,5-8,12-15H2,1-4H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;(2-dipropylphosphanylcyclopenta-2,4-dien-1-yl)-dipropylphosphane;ruthenium?
cyclopentane;(2-dipropylphosphanylcyclopenta-2,4-dien-1-yl)-dipropylphosphane;ruthenium has a molecular weight of 463.55 g/mol, XLogP of 6.66, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;(2-dipropylphosphanylcyclopenta-2,4-dien-1-yl)-dipropylphosphane;ruthenium is sourced from PubChem (CID 90111832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).