zinc bis(dinonyl phosphate)

C36H76O8P2Zn — CID 87237924

IUPACzinc bis(dinonyl phosphate)
SMILESCCCCCCCCCOP(=O)([O-])OCCCCCCCCC.CCCCCCCCCOP(=O)([O-])OCCCCCCCCC.[Zn+2]
InChIInChI=1S/2C18H39O4P.Zn/c2*1-3-5-7-9-11-13-15-17-21-23(19,20)22-18-16-14-12-10-8-6-4-2;/h2*3-18H2,1-2H3,(H,19,20);/q;;+2/p-2
InChIKeyUSFDQSMPAIDHNA-UHFFFAOYSA-L
MW764.33 g/mol
LogP11.98
Rot. Bonds36

About zinc bis(dinonyl phosphate)

zinc bis(dinonyl phosphate) (PubChem CID 87237924) has the molecular formula C36H76O8P2Zn and a molecular weight of 764.33 g/mol. Its IUPAC name is zinc bis(dinonyl phosphate).

Molecular Properties

Compound Namezinc bis(dinonyl phosphate)
PubChem CID87237924
Molecular FormulaC36H76O8P2Zn
Molecular Weight764.33 g/mol
Exact Mass762.43
IUPAC Namezinc bis(dinonyl phosphate)
SMILESCCCCCCCCCOP(=O)([O-])OCCCCCCCCC.CCCCCCCCCOP(=O)([O-])OCCCCCCCCC.[Zn+2]
InChIInChI=1S/2C18H39O4P.Zn/c2*1-3-5-7-9-11-13-15-17-21-23(19,20)22-18-16-14-12-10-8-6-4-2;/h2*3-18H2,1-2H3,(H,19,20);/q;;+2/p-2
InChIKeyUSFDQSMPAIDHNA-UHFFFAOYSA-L
XLogP11.98
TPSA117.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds36
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.33
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

diicosyl phosphate
CID 21219883
disodium bis(dioctadecyl phosphate)
CID 172826116
beryllium bis(dihexadecyl phosphate)
CID 102241208
chromium(2+);dihexyl phosphate
CID 18626712
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
CID 102130313
azanium didecyl phosphate
CID 157179907
potassium dodecyl octyl phosphate
CID 175269895
calcium bis(dihexyl phosphate)
CID 159957382
bis(dioctyl phosphate);oxotitanium(2+)
CID 139722402
sodium butyl decyl phosphate
CID 174997110
dipentyl phosphate;nickel(2+)
CID 22743882
ethyl hexyl phosphate
CID 22057005

Frequently Asked Questions

What is the IUPAC name of zinc bis(dinonyl phosphate)?
The IUPAC name of zinc bis(dinonyl phosphate) (CID 87237924) is zinc bis(dinonyl phosphate).
What is the SMILES notation for zinc bis(dinonyl phosphate)?
The canonical SMILES for zinc bis(dinonyl phosphate) is CCCCCCCCCOP(=O)([O-])OCCCCCCCCC.CCCCCCCCCOP(=O)([O-])OCCCCCCCCC.[Zn+2].
What is the InChIKey of zinc bis(dinonyl phosphate)?
The InChIKey is USFDQSMPAIDHNA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H39O4P.Zn/c2*1-3-5-7-9-11-13-15-17-21-23(19,20)22-18-16-14-12-10-8-6-4-2;/h2*3-18H2,1-2H3,(H,19,20);/q;;+2/p-2.
What are the key properties of zinc bis(dinonyl phosphate)?
zinc bis(dinonyl phosphate) has a molecular weight of 764.33 g/mol, XLogP of 11.98, 36 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(dinonyl phosphate) is sourced from PubChem (CID 87237924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).