tetrakis(ditridecyl phosphite);titanium(4+)

C104H216O12P4Ti — CID 160640114

IUPACtetrakis(ditridecyl phosphite);titanium(4+)
SMILESCCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.[Ti+4]
InChIInChI=1S/4C26H54O3P.Ti/c4*1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2;/h4*3-26H2,1-2H3;/q4*-1;+4
InChIKeyRJBJPPVJSDHASY-UHFFFAOYSA-N
MW1830.62 g/mol
LogP36.91
Rot. Bonds104

About tetrakis(ditridecyl phosphite);titanium(4+)

tetrakis(ditridecyl phosphite);titanium(4+) (PubChem CID 160640114) has the molecular formula C104H216O12P4Ti and a molecular weight of 1830.62 g/mol. Its IUPAC name is tetrakis(ditridecyl phosphite);titanium(4+).

Molecular Properties

Compound Nametetrakis(ditridecyl phosphite);titanium(4+)
PubChem CID160640114
Molecular FormulaC104H216O12P4Ti
Molecular Weight1830.62 g/mol
Exact Mass1829.47
IUPAC Nametetrakis(ditridecyl phosphite);titanium(4+)
SMILESCCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.[Ti+4]
InChIInChI=1S/4C26H54O3P.Ti/c4*1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2;/h4*3-26H2,1-2H3;/q4*-1;+4
InChIKeyRJBJPPVJSDHASY-UHFFFAOYSA-N
XLogP36.91
TPSA166.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds104
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001830.62
LogP ≤ 536.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

lithium dioctyl phosphite
CID 174541245
sodium didodecyl phosphite
CID 23710886
disodium;hexyl phosphite
CID 139691830
bis(ditridecyl phosphite);hydron;tris(2-methylprop-2-en-1-olate);propan-2-olate;titanium(4+)
CID 165361150
triheptadecyl phosphite
CID 23435031
didodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+)
CID 170844744
butyl methyl phosphite
CID 21328235
tris(dipropyl phosphite);indium(3+)
CID 23460130
chloro(didodecoxy)phosphane
CID 54405346
diethyl(hexoxy)phosphane
CID 87283104
didecyl hydrogen phosphite
CID 14151265
decoxy(octoxy)phosphinothious acid
CID 54152589

Frequently Asked Questions

What is the IUPAC name of tetrakis(ditridecyl phosphite);titanium(4+)?
The IUPAC name of tetrakis(ditridecyl phosphite);titanium(4+) (CID 160640114) is tetrakis(ditridecyl phosphite);titanium(4+).
What is the SMILES notation for tetrakis(ditridecyl phosphite);titanium(4+)?
The canonical SMILES for tetrakis(ditridecyl phosphite);titanium(4+) is CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.[Ti+4].
What is the InChIKey of tetrakis(ditridecyl phosphite);titanium(4+)?
The InChIKey is RJBJPPVJSDHASY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C26H54O3P.Ti/c4*1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2;/h4*3-26H2,1-2H3;/q4*-1;+4.
What are the key properties of tetrakis(ditridecyl phosphite);titanium(4+)?
tetrakis(ditridecyl phosphite);titanium(4+) has a molecular weight of 1830.62 g/mol, XLogP of 36.91, 104 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(ditridecyl phosphite);titanium(4+) is sourced from PubChem (CID 160640114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).