dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite)

C52H112O9P2Ti — CID 87482236

IUPACdihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite)
SMILESCCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCC.O=[Ti](O)O
InChIInChI=1S/2C26H55O3P.2H2O.O.Ti/c2*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;;;;/h2*27H,3-26H2,1-2H3;2*1H2;;/q;;;;;+2/p-2
InChIKeyCURRHURQBVLVMN-UHFFFAOYSA-L
MW991.27 g/mol
LogP18.49
Rot. Bonds52

About dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite)

dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite) (PubChem CID 87482236) has the molecular formula C52H112O9P2Ti and a molecular weight of 991.27 g/mol. Its IUPAC name is dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite).

Molecular Properties

Compound Namedihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite)
PubChem CID87482236
Molecular FormulaC52H112O9P2Ti
Molecular Weight991.27 g/mol
Exact Mass990.73
IUPAC Namedihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite)
SMILESCCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCC.O=[Ti](O)O
InChIInChI=1S/2C26H55O3P.2H2O.O.Ti/c2*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;;;;/h2*27H,3-26H2,1-2H3;2*1H2;;/q;;;;;+2/p-2
InChIKeyCURRHURQBVLVMN-UHFFFAOYSA-L
XLogP18.49
TPSA134.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds52
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.27
LogP ≤ 518.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite
CID 87479018
didecyl hydrogen phosphite
CID 14151265
propyl tetradecyl hydrogen phosphite
CID 121403997
4-hydroxybutyl tridecyl hydrogen phosphite
CID 154235409
hexyl methyl hydrogen phosphite
CID 22731198
didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane
CID 159134854
tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252
dibutyl hydrogen phosphite;phosphorous acid
CID 88648426
benzyl hexyl hydrogen phosphite
CID 174676176
benzyl dodecyl hydrogen phosphite
CID 161198417
azane;hexyl dihydrogen phosphite
CID 173357133
carbamic acid;dibutyl hydrogen phosphite
CID 174676710

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite)?
The IUPAC name of dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite) (CID 87482236) is dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite).
What is the SMILES notation for dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite)?
The canonical SMILES for dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite) is CCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCC.O=[Ti](O)O.
What is the InChIKey of dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite)?
The InChIKey is CURRHURQBVLVMN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C26H55O3P.2H2O.O.Ti/c2*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;;;;/h2*27H,3-26H2,1-2H3;2*1H2;;/q;;;;;+2/p-2.
What are the key properties of dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite)?
dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite) has a molecular weight of 991.27 g/mol, XLogP of 18.49, 52 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite) is sourced from PubChem (CID 87482236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).