dichloro(3-methylbut-2-enylidene)ruthenium;tricyclopentylphosphane

C20H35Cl2PRu — CID 87798343

IUPACdichloro(3-methylbut-2-enylidene)ruthenium;tricyclopentylphosphane
SMILESC1CCC(P(C2CCCC2)C2CCCC2)C1.CC(C)=CC=[Ru](Cl)Cl
InChIInChI=1S/C15H27P.C5H8.2ClH.Ru/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;1-4-5(2)3;;;/h13-15H,1-12H2;1,4H,2-3H3;2*1H;/q;;;;+2/p-2
InChIKeyCNQKSFDRRVLFNK-UHFFFAOYSA-L
MW478.45 g/mol
LogP7.98
Rot. Bonds4

About dichloro(3-methylbut-2-enylidene)ruthenium;tricyclopentylphosphane

dichloro(3-methylbut-2-enylidene)ruthenium;tricyclopentylphosphane (PubChem CID 87798343) has the molecular formula C20H35Cl2PRu and a molecular weight of 478.45 g/mol. Its IUPAC name is dichloro(3-methylbut-2-enylidene)ruthenium;tricyclopentylphosphane.

Molecular Properties

Compound Namedichloro(3-methylbut-2-enylidene)ruthenium;tricyclopentylphosphane
PubChem CID87798343
Molecular FormulaC20H35Cl2PRu
Molecular Weight478.45 g/mol
Exact Mass478.09
IUPAC Namedichloro(3-methylbut-2-enylidene)ruthenium;tricyclopentylphosphane
SMILESC1CCC(P(C2CCCC2)C2CCCC2)C1.CC(C)=CC=[Ru](Cl)Cl
InChIInChI=1S/C15H27P.C5H8.2ClH.Ru/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;1-4-5(2)3;;;/h13-15H,1-12H2;1,4H,2-3H3;2*1H;/q;;;;+2/p-2
InChIKeyCNQKSFDRRVLFNK-UHFFFAOYSA-L
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.45
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro(3-methylbut-2-enylidene)ruthenium;tricyclopentylphosphane?
The IUPAC name of dichloro(3-methylbut-2-enylidene)ruthenium;tricyclopentylphosphane (CID 87798343) is dichloro(3-methylbut-2-enylidene)ruthenium;tricyclopentylphosphane.
What is the SMILES notation for dichloro(3-methylbut-2-enylidene)ruthenium;tricyclopentylphosphane?
The canonical SMILES for dichloro(3-methylbut-2-enylidene)ruthenium;tricyclopentylphosphane is C1CCC(P(C2CCCC2)C2CCCC2)C1.CC(C)=CC=[Ru](Cl)Cl.
What is the InChIKey of dichloro(3-methylbut-2-enylidene)ruthenium;tricyclopentylphosphane?
The InChIKey is CNQKSFDRRVLFNK-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H27P.C5H8.2ClH.Ru/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;1-4-5(2)3;;;/h13-15H,1-12H2;1,4H,2-3H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichloro(3-methylbut-2-enylidene)ruthenium;tricyclopentylphosphane?
dichloro(3-methylbut-2-enylidene)ruthenium;tricyclopentylphosphane has a molecular weight of 478.45 g/mol, XLogP of 7.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(3-methylbut-2-enylidene)ruthenium;tricyclopentylphosphane is sourced from PubChem (CID 87798343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).