bis(tripropylphosphane);zirconium(2+);tetrachloride

C18H42Cl4P2Zr-2 — CID 23286584

IUPACbis(tripropylphosphane);zirconium(2+);tetrachloride
SMILESCCCP(CCC)CCC.CCCP(CCC)CCC.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C9H21P.4ClH.Zr/c2*1-4-7-10(8-5-2)9-6-3;;;;;/h2*4-9H2,1-3H3;4*1H;/q;;;;;;+2/p-4
InChIKeyWLXGHVURAAJXRX-UHFFFAOYSA-J
MW553.52 g/mol
LogP-4.59
Rot. Bonds12

About bis(tripropylphosphane);zirconium(2+);tetrachloride

bis(tripropylphosphane);zirconium(2+);tetrachloride (PubChem CID 23286584) has the molecular formula C18H42Cl4P2Zr-2 and a molecular weight of 553.52 g/mol. Its IUPAC name is bis(tripropylphosphane);zirconium(2+);tetrachloride.

Molecular Properties

Compound Namebis(tripropylphosphane);zirconium(2+);tetrachloride
PubChem CID23286584
Molecular FormulaC18H42Cl4P2Zr-2
Molecular Weight553.52 g/mol
Exact Mass550.06
IUPAC Namebis(tripropylphosphane);zirconium(2+);tetrachloride
SMILESCCCP(CCC)CCC.CCCP(CCC)CCC.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C9H21P.4ClH.Zr/c2*1-4-7-10(8-5-2)9-6-3;;;;;/h2*4-9H2,1-3H3;4*1H;/q;;;;;;+2/p-4
InChIKeyWLXGHVURAAJXRX-UHFFFAOYSA-J
XLogP-4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.52
LogP ≤ 5-4.59
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

nickel(2+);bis(tripropylphosphane);dichloride
CID 173106713
bis(6-dipropylphosphanylhexyl)-propylphosphane
CID 90111361
tetraiodostannane;bis(tripropylphosphane)
CID 10985859
diethyl(propyl)phosphane
CID 19828866
dipropylphosphanylmethyl(dipropyl)phosphane
CID 23420802
butyl-pentyl-propylphosphane
CID 171559250
bis(dipropylphosphanylmethyl)-propylphosphane
CID 90108220
2-[bis(2-ethoxyethyl)phosphanyl]ethyl-dipropylphosphane
CID 58099933
nickel(2+);tributylphosphane
CID 161451777
gold;tributylphosphane
CID 88800341
tripentylphosphane
CID 2784073
azane;tributylphosphane
CID 87538509

Frequently Asked Questions

What is the IUPAC name of bis(tripropylphosphane);zirconium(2+);tetrachloride?
The IUPAC name of bis(tripropylphosphane);zirconium(2+);tetrachloride (CID 23286584) is bis(tripropylphosphane);zirconium(2+);tetrachloride.
What is the SMILES notation for bis(tripropylphosphane);zirconium(2+);tetrachloride?
The canonical SMILES for bis(tripropylphosphane);zirconium(2+);tetrachloride is CCCP(CCC)CCC.CCCP(CCC)CCC.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+2].
What is the InChIKey of bis(tripropylphosphane);zirconium(2+);tetrachloride?
The InChIKey is WLXGHVURAAJXRX-UHFFFAOYSA-J. The full InChI is InChI=1S/2C9H21P.4ClH.Zr/c2*1-4-7-10(8-5-2)9-6-3;;;;;/h2*4-9H2,1-3H3;4*1H;/q;;;;;;+2/p-4.
What are the key properties of bis(tripropylphosphane);zirconium(2+);tetrachloride?
bis(tripropylphosphane);zirconium(2+);tetrachloride has a molecular weight of 553.52 g/mol, XLogP of -4.59, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tripropylphosphane);zirconium(2+);tetrachloride is sourced from PubChem (CID 23286584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).