chlororuthenium;tris(tributyl phosphite)

C36H81ClO9P3Ru — CID 173315437

IUPACchlororuthenium;tris(tributyl phosphite)
SMILESCCCCOP(OCCCC)OCCCC.CCCCOP(OCCCC)OCCCC.CCCCOP(OCCCC)OCCCC.Cl[Ru]
InChIInChI=1S/3C12H27O3P.ClH.Ru/c3*1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;;/h3*4-12H2,1-3H3;1H;/q;;;;+1/p-1
InChIKeyXSHLESMCOVOGDY-UHFFFAOYSA-M
MW887.48 g/mol
LogP14.68
Rot. Bonds36

About chlororuthenium;tris(tributyl phosphite)

chlororuthenium;tris(tributyl phosphite) (PubChem CID 173315437) has the molecular formula C36H81ClO9P3Ru and a molecular weight of 887.48 g/mol. Its IUPAC name is chlororuthenium;tris(tributyl phosphite).

Molecular Properties

Compound Namechlororuthenium;tris(tributyl phosphite)
PubChem CID173315437
Molecular FormulaC36H81ClO9P3Ru
Molecular Weight887.48 g/mol
Exact Mass887.38
IUPAC Namechlororuthenium;tris(tributyl phosphite)
SMILESCCCCOP(OCCCC)OCCCC.CCCCOP(OCCCC)OCCCC.CCCCOP(OCCCC)OCCCC.Cl[Ru]
InChIInChI=1S/3C12H27O3P.ClH.Ru/c3*1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;;/h3*4-12H2,1-3H3;1H;/q;;;;+1/p-1
InChIKeyXSHLESMCOVOGDY-UHFFFAOYSA-M
XLogP14.68
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds36
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.48
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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dibutoxy(chloro)phosphane
CID 4231195
dibutoxy(fluoro)phosphane
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tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252
dibutyl hydrogen phosphite;phosphorous acid
CID 88648426
tris(3-ethoxypropyl) phosphite
CID 54497287
chloro(didodecoxy)phosphane
CID 54405346
tris[(9Z,12Z)-octadeca-9,12-dienyl] phosphite
CID 88726747
N-dibutoxyphosphanyl-N-ethylethanamine
CID 12614123
butyl methyl phosphite
CID 21328235
2-aminoethyl methyl pentyl phosphite
CID 121360458
dibutoxy(butylsulfanyl)phosphane
CID 19799721

Frequently Asked Questions

What is the IUPAC name of chlororuthenium;tris(tributyl phosphite)?
The IUPAC name of chlororuthenium;tris(tributyl phosphite) (CID 173315437) is chlororuthenium;tris(tributyl phosphite).
What is the SMILES notation for chlororuthenium;tris(tributyl phosphite)?
The canonical SMILES for chlororuthenium;tris(tributyl phosphite) is CCCCOP(OCCCC)OCCCC.CCCCOP(OCCCC)OCCCC.CCCCOP(OCCCC)OCCCC.Cl[Ru].
What is the InChIKey of chlororuthenium;tris(tributyl phosphite)?
The InChIKey is XSHLESMCOVOGDY-UHFFFAOYSA-M. The full InChI is InChI=1S/3C12H27O3P.ClH.Ru/c3*1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;;/h3*4-12H2,1-3H3;1H;/q;;;;+1/p-1.
What are the key properties of chlororuthenium;tris(tributyl phosphite)?
chlororuthenium;tris(tributyl phosphite) has a molecular weight of 887.48 g/mol, XLogP of 14.68, 36 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium;tris(tributyl phosphite) is sourced from PubChem (CID 173315437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).