benzylidene(chloro)ruthenium;tricyclohexylphosphane

C25H39ClPRu — CID 173136823

IUPACbenzylidene(chloro)ruthenium;tricyclohexylphosphane
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl/[Ru]=C/c1ccccc1
InChIInChI=1S/C18H33P.C7H6.ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;/h16-18H,1-15H2;1-6H;1H;/q;;;+1/p-1
InChIKeyZSZKWAGHMIOTFN-UHFFFAOYSA-M
MW507.08 g/mol
LogP8.54
Rot. Bonds4

About benzylidene(chloro)ruthenium;tricyclohexylphosphane

benzylidene(chloro)ruthenium;tricyclohexylphosphane (PubChem CID 173136823) has the molecular formula C25H39ClPRu and a molecular weight of 507.08 g/mol. Its IUPAC name is benzylidene(chloro)ruthenium;tricyclohexylphosphane.

Molecular Properties

Compound Namebenzylidene(chloro)ruthenium;tricyclohexylphosphane
PubChem CID173136823
Molecular FormulaC25H39ClPRu
Molecular Weight507.08 g/mol
Exact Mass507.15
IUPAC Namebenzylidene(chloro)ruthenium;tricyclohexylphosphane
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl/[Ru]=C/c1ccccc1
InChIInChI=1S/C18H33P.C7H6.ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;/h16-18H,1-15H2;1-6H;1H;/q;;;+1/p-1
InChIKeyZSZKWAGHMIOTFN-UHFFFAOYSA-M
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.08
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane)
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CID 173162409
dichloronickel;toluene;tricyclohexylphosphane
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cyclononyl(diphenyl)phosphane
CID 70908257
2-chloroethenylbenzene;formaldehyde;ruthenium(1+);bis(tricyclohexylphosphane)
CID 173344247
benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium
CID 22899065
tri(cyclododecyl)phosphane
CID 19065577
tri(cyclooctyl)phosphane
CID 12970661
(2-benzylidene-4,4-dichlorocyclohexyl)-dicyclohexylphosphane;ruthenium
CID 160502510
silane;tricyclohexylphosphane
CID 158384701
CID 11297590
CID 11297590
gold(1+);tricyclohexylphosphane
CID 161082953

Frequently Asked Questions

What is the IUPAC name of benzylidene(chloro)ruthenium;tricyclohexylphosphane?
The IUPAC name of benzylidene(chloro)ruthenium;tricyclohexylphosphane (CID 173136823) is benzylidene(chloro)ruthenium;tricyclohexylphosphane.
What is the SMILES notation for benzylidene(chloro)ruthenium;tricyclohexylphosphane?
The canonical SMILES for benzylidene(chloro)ruthenium;tricyclohexylphosphane is C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl/[Ru]=C/c1ccccc1.
What is the InChIKey of benzylidene(chloro)ruthenium;tricyclohexylphosphane?
The InChIKey is ZSZKWAGHMIOTFN-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H33P.C7H6.ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;/h16-18H,1-15H2;1-6H;1H;/q;;;+1/p-1.
What are the key properties of benzylidene(chloro)ruthenium;tricyclohexylphosphane?
benzylidene(chloro)ruthenium;tricyclohexylphosphane has a molecular weight of 507.08 g/mol, XLogP of 8.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene(chloro)ruthenium;tricyclohexylphosphane is sourced from PubChem (CID 173136823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).