dichloro(pentylidene)ruthenium;bis(tricyclohexylphosphanium)

C41H78Cl2P2Ru+2 — CID 23531107

IUPACdichloro(pentylidene)ruthenium;bis(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CCCCC=[Ru](Cl)Cl
InChIInChI=1S/2C18H33P.C5H10.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-4-2;;;/h2*16-18H,1-15H2;1H,3-5H2,2H3;2*1H;/q;;;;;+2
InChIKeyMDTHVZOBLYJOAQ-UHFFFAOYSA-N
MW805.00 g/mol
LogP15.30
Rot. Bonds9

About dichloro(pentylidene)ruthenium;bis(tricyclohexylphosphanium)

dichloro(pentylidene)ruthenium;bis(tricyclohexylphosphanium) (PubChem CID 23531107) has the molecular formula C41H78Cl2P2Ru+2 and a molecular weight of 805.00 g/mol. Its IUPAC name is dichloro(pentylidene)ruthenium;bis(tricyclohexylphosphanium).

Molecular Properties

Compound Namedichloro(pentylidene)ruthenium;bis(tricyclohexylphosphanium)
PubChem CID23531107
Molecular FormulaC41H78Cl2P2Ru+2
Molecular Weight805.00 g/mol
Exact Mass804.40
IUPAC Namedichloro(pentylidene)ruthenium;bis(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CCCCC=[Ru](Cl)Cl
InChIInChI=1S/2C18H33P.C5H10.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-4-2;;;/h2*16-18H,1-15H2;1H,3-5H2,2H3;2*1H;/q;;;;;+2
InChIKeyMDTHVZOBLYJOAQ-UHFFFAOYSA-N
XLogP15.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.00
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 23520459
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CID 159180394
dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium
CID 87671530
ruthenium;tricyclohexylphosphanium
CID 76540697
platinum;bis(tricyclohexylphosphanium)
CID 87860493
dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium;dichloro(3-hydroxypropylidene)ruthenium;tetrakis(tricyclohexylphosphanium)
CID 161390766
dichloro(hex-1-enylidene)ruthenium;tricyclohexylphosphanium;1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide
CID 59566371
benzylidene(dichloro)ruthenium;dichloro(hex-1-enylidene)ruthenium;dichloro(3-methylbut-1-enylidene)ruthenium;dichloro(oct-1-enylidene)ruthenium;dichloro(pent-1-enylidene)ruthenium;dichloro(2-phenylethenylidene)ruthenium;dichloro(2-trimethylsilylethenylidene)ruthenium;tetradecakis(tricyclohexylphosphanium)
CID 159624465
benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium
CID 59656595
dichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium)
CID 134975143
(5-bromo-3-methylthiophen-2-yl)methylidene-dichlororuthenium;bis(tricyclohexylphosphanium)
CID 58083894
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683

Frequently Asked Questions

What is the IUPAC name of dichloro(pentylidene)ruthenium;bis(tricyclohexylphosphanium)?
The IUPAC name of dichloro(pentylidene)ruthenium;bis(tricyclohexylphosphanium) (CID 23531107) is dichloro(pentylidene)ruthenium;bis(tricyclohexylphosphanium).
What is the SMILES notation for dichloro(pentylidene)ruthenium;bis(tricyclohexylphosphanium)?
The canonical SMILES for dichloro(pentylidene)ruthenium;bis(tricyclohexylphosphanium) is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CCCCC=[Ru](Cl)Cl.
What is the InChIKey of dichloro(pentylidene)ruthenium;bis(tricyclohexylphosphanium)?
The InChIKey is MDTHVZOBLYJOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H33P.C5H10.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-4-2;;;/h2*16-18H,1-15H2;1H,3-5H2,2H3;2*1H;/q;;;;;+2.
What are the key properties of dichloro(pentylidene)ruthenium;bis(tricyclohexylphosphanium)?
dichloro(pentylidene)ruthenium;bis(tricyclohexylphosphanium) has a molecular weight of 805.00 g/mol, XLogP of 15.30, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(pentylidene)ruthenium;bis(tricyclohexylphosphanium) is sourced from PubChem (CID 23531107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).