dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite

C16H38O8P2Ti — CID 87479018

IUPACdihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite
SMILESCCCCCCCCOP(O)OP(O)OCCCCCCCC.O=[Ti](O)O
InChIInChI=1S/C16H36O5P2.2H2O.O.Ti/c1-3-5-7-9-11-13-15-19-22(17)21-23(18)20-16-14-12-10-8-6-4-2;;;;/h17-18H,3-16H2,1-2H3;2*1H2;;/q;;;;+2/p-2
InChIKeyNOKUXCFGXUYDCT-UHFFFAOYSA-L
MW468.29 g/mol
LogP4.96
Rot. Bonds18

About dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite

dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite (PubChem CID 87479018) has the molecular formula C16H38O8P2Ti and a molecular weight of 468.29 g/mol. Its IUPAC name is dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite.

Molecular Properties

Compound Namedihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite
PubChem CID87479018
Molecular FormulaC16H38O8P2Ti
Molecular Weight468.29 g/mol
Exact Mass468.15
IUPAC Namedihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite
SMILESCCCCCCCCOP(O)OP(O)OCCCCCCCC.O=[Ti](O)O
InChIInChI=1S/C16H36O5P2.2H2O.O.Ti/c1-3-5-7-9-11-13-15-19-22(17)21-23(18)20-16-14-12-10-8-6-4-2;;;;/h17-18H,3-16H2,1-2H3;2*1H2;;/q;;;;+2/p-2
InChIKeyNOKUXCFGXUYDCT-UHFFFAOYSA-L
XLogP4.96
TPSA125.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.29
LogP ≤ 54.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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;bis(ditridecyl hydrogen phosphite)
CID 87482236
didecyl hydrogen phosphite
CID 14151265
4-hydroxybutyl tridecyl hydrogen phosphite
CID 154235409
propyl tetradecyl hydrogen phosphite
CID 121403997
hexyl methyl hydrogen phosphite
CID 22731198
didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane
CID 159134854
azane;hexyl dihydrogen phosphite
CID 173357133
dibutyl hydrogen phosphite;phosphorous acid
CID 88648426
tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252
pentadecoxyphosphonamidous acid
CID 149252404
[hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite
CID 88626572
pentyl dihydrogen phosphite;zinc
CID 88839337

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite?
The IUPAC name of dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite (CID 87479018) is dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite.
What is the SMILES notation for dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite?
The canonical SMILES for dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite is CCCCCCCCOP(O)OP(O)OCCCCCCCC.O=[Ti](O)O.
What is the InChIKey of dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite?
The InChIKey is NOKUXCFGXUYDCT-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H36O5P2.2H2O.O.Ti/c1-3-5-7-9-11-13-15-19-22(17)21-23(18)20-16-14-12-10-8-6-4-2;;;;/h17-18H,3-16H2,1-2H3;2*1H2;;/q;;;;+2/p-2.
What are the key properties of dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite?
dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite has a molecular weight of 468.29 g/mol, XLogP of 4.96, 18 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite is sourced from PubChem (CID 87479018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).