chlororuthenium;tris(tri(propan-2-yl)phosphane)

C27H63ClP3Ru — CID 173316351

IUPACchlororuthenium;tris(tri(propan-2-yl)phosphane)
SMILESCC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.Cl[Ru]
InChIInChI=1S/3C9H21P.ClH.Ru/c3*1-7(2)10(8(3)4)9(5)6;;/h3*7-9H,1-6H3;1H;/q;;;;+1/p-1
InChIKeyMQQDOYIBHBJHCO-UHFFFAOYSA-M
MW617.25 g/mol
LogP11.77
Rot. Bonds9

About chlororuthenium;tris(tri(propan-2-yl)phosphane)

chlororuthenium;tris(tri(propan-2-yl)phosphane) (PubChem CID 173316351) has the molecular formula C27H63ClP3Ru and a molecular weight of 617.25 g/mol. Its IUPAC name is chlororuthenium;tris(tri(propan-2-yl)phosphane).

Molecular Properties

Compound Namechlororuthenium;tris(tri(propan-2-yl)phosphane)
PubChem CID173316351
Molecular FormulaC27H63ClP3Ru
Molecular Weight617.25 g/mol
Exact Mass617.29
IUPAC Namechlororuthenium;tris(tri(propan-2-yl)phosphane)
SMILESCC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.Cl[Ru]
InChIInChI=1S/3C9H21P.ClH.Ru/c3*1-7(2)10(8(3)4)9(5)6;;/h3*7-9H,1-6H3;1H;/q;;;;+1/p-1
InChIKeyMQQDOYIBHBJHCO-UHFFFAOYSA-M
XLogP11.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.25
LogP ≤ 511.77
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

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carbon monoxide;bis(cyclopenta-1,3-diene);ethene;manganese;rhodium(2+);tri(propan-2-yl)phosphane
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CID 87532527
CID 87532527
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CID 174414093
palladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane)
CID 173203711
CID 134921912
CID 134921912
2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate
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chloro-[2-[chloro(propan-2-yl)phosphanyl]ethyl]-propan-2-ylphosphane
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CID 169186703

Frequently Asked Questions

What is the IUPAC name of chlororuthenium;tris(tri(propan-2-yl)phosphane)?
The IUPAC name of chlororuthenium;tris(tri(propan-2-yl)phosphane) (CID 173316351) is chlororuthenium;tris(tri(propan-2-yl)phosphane).
What is the SMILES notation for chlororuthenium;tris(tri(propan-2-yl)phosphane)?
The canonical SMILES for chlororuthenium;tris(tri(propan-2-yl)phosphane) is CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.Cl[Ru].
What is the InChIKey of chlororuthenium;tris(tri(propan-2-yl)phosphane)?
The InChIKey is MQQDOYIBHBJHCO-UHFFFAOYSA-M. The full InChI is InChI=1S/3C9H21P.ClH.Ru/c3*1-7(2)10(8(3)4)9(5)6;;/h3*7-9H,1-6H3;1H;/q;;;;+1/p-1.
What are the key properties of chlororuthenium;tris(tri(propan-2-yl)phosphane)?
chlororuthenium;tris(tri(propan-2-yl)phosphane) has a molecular weight of 617.25 g/mol, XLogP of 11.77, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium;tris(tri(propan-2-yl)phosphane) is sourced from PubChem (CID 173316351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).