chlororuthenium(1+);tris(diethyl(phenyl)phosphane);methanone

C31H46ClOP3Ru — CID 22505810

IUPACchlororuthenium(1+);tris(diethyl(phenyl)phosphane);methanone
SMILESCCP(CC)c1ccccc1.CCP(CC)c1ccccc1.CCP(CC)c1ccccc1.Cl[Ru+].[CH-]=O
InChIInChI=1S/3C10H15P.CHO.ClH.Ru/c3*1-3-11(4-2)10-8-6-5-7-9-10;1-2;;/h3*5-9H,3-4H2,1-2H3;1H;1H;/q;;;-1;;+2/p-1
InChIKeyHKQZFHOTFVTKPW-UHFFFAOYSA-M
MW664.15 g/mol
LogP8.91
Rot. Bonds9

About chlororuthenium(1+);tris(diethyl(phenyl)phosphane);methanone

chlororuthenium(1+);tris(diethyl(phenyl)phosphane);methanone (PubChem CID 22505810) has the molecular formula C31H46ClOP3Ru and a molecular weight of 664.15 g/mol. Its IUPAC name is chlororuthenium(1+);tris(diethyl(phenyl)phosphane);methanone.

Molecular Properties

Compound Namechlororuthenium(1+);tris(diethyl(phenyl)phosphane);methanone
PubChem CID22505810
Molecular FormulaC31H46ClOP3Ru
Molecular Weight664.15 g/mol
Exact Mass664.15
IUPAC Namechlororuthenium(1+);tris(diethyl(phenyl)phosphane);methanone
SMILESCCP(CC)c1ccccc1.CCP(CC)c1ccccc1.CCP(CC)c1ccccc1.Cl[Ru+].[CH-]=O
InChIInChI=1S/3C10H15P.CHO.ClH.Ru/c3*1-3-11(4-2)10-8-6-5-7-9-10;1-2;;/h3*5-9H,3-4H2,1-2H3;1H;1H;/q;;;-1;;+2/p-1
InChIKeyHKQZFHOTFVTKPW-UHFFFAOYSA-M
XLogP8.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.15
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chloromethanone;tris(diethyl(phenyl)phosphane);ruthenium(1+) monohydride
CID 173451477
ethyl-[2-[ethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 22760091
chlororuthenium(1+);formaldehyde;tris(triphenylphosphane)
CID 21268968
(2-diethylphosphanylphenyl)-diethylphosphane
CID 14874086
dipentyl(phenyl)phosphane
CID 3085487
dichloroosmium;methanone;bis(triphenylphosphane)
CID 73456719
butane;triphenylphosphane
CID 161447439
(S)-ethyl-methyl-phenylphosphane
CID 10909914
chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane)
CID 21271333
CID 11365296
CID 11365296
ethyl(diphenyl)phosphane;trichlororuthenium
CID 159343437
2-[carboxymethyl(phenyl)phosphanyl]acetic acid
CID 14029592

Frequently Asked Questions

What is the IUPAC name of chlororuthenium(1+);tris(diethyl(phenyl)phosphane);methanone?
The IUPAC name of chlororuthenium(1+);tris(diethyl(phenyl)phosphane);methanone (CID 22505810) is chlororuthenium(1+);tris(diethyl(phenyl)phosphane);methanone.
What is the SMILES notation for chlororuthenium(1+);tris(diethyl(phenyl)phosphane);methanone?
The canonical SMILES for chlororuthenium(1+);tris(diethyl(phenyl)phosphane);methanone is CCP(CC)c1ccccc1.CCP(CC)c1ccccc1.CCP(CC)c1ccccc1.Cl[Ru+].[CH-]=O.
What is the InChIKey of chlororuthenium(1+);tris(diethyl(phenyl)phosphane);methanone?
The InChIKey is HKQZFHOTFVTKPW-UHFFFAOYSA-M. The full InChI is InChI=1S/3C10H15P.CHO.ClH.Ru/c3*1-3-11(4-2)10-8-6-5-7-9-10;1-2;;/h3*5-9H,3-4H2,1-2H3;1H;1H;/q;;;-1;;+2/p-1.
What are the key properties of chlororuthenium(1+);tris(diethyl(phenyl)phosphane);methanone?
chlororuthenium(1+);tris(diethyl(phenyl)phosphane);methanone has a molecular weight of 664.15 g/mol, XLogP of 8.91, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium(1+);tris(diethyl(phenyl)phosphane);methanone is sourced from PubChem (CID 22505810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).