didodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+)

C60H130O10P2Ti — CID 170844744

IUPACdidodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CCCCCCCCCCCCOP(O)[OH+]CCCCCCCCCCCC.CCCCCCCCCCCCOP([O-])OCCCCCCCCCCCC.[Ti+4]
InChIInChI=1S/C24H51O3P.C24H50O3P.4C3H7O.Ti/c2*1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2;4*1-3(2)4;/h25H,3-24H2,1-2H3;3-24H2,1-2H3;4*3H,1-2H3;/q;5*-1;+4/p+1
InChIKeyQOHLLWRTFGWBPB-UHFFFAOYSA-O
MW1121.50 g/mol
LogP16.06
Rot. Bonds48

About didodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+)

didodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+) (PubChem CID 170844744) has the molecular formula C60H130O10P2Ti and a molecular weight of 1121.50 g/mol. Its IUPAC name is didodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+).

Molecular Properties

Compound Namedidodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+)
PubChem CID170844744
Molecular FormulaC60H130O10P2Ti
Molecular Weight1121.50 g/mol
Exact Mass1120.86
IUPAC Namedidodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CCCCCCCCCCCCOP(O)[OH+]CCCCCCCCCCCC.CCCCCCCCCCCCOP([O-])OCCCCCCCCCCCC.[Ti+4]
InChIInChI=1S/C24H51O3P.C24H50O3P.4C3H7O.Ti/c2*1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2;4*1-3(2)4;/h25H,3-24H2,1-2H3;3-24H2,1-2H3;4*3H,1-2H3;/q;5*-1;+4/p+1
InChIKeyQOHLLWRTFGWBPB-UHFFFAOYSA-O
XLogP16.06
TPSA176.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds48
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001121.50
LogP ≤ 516.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

ditridecyl phosphite;[hydroxy(tridecoxy)phosphanyl]-tridecyloxidanium;propan-2-olate;tris(prop-2-en-1-olate);titanium(4+)
CID 138401381
tetrakis(ditridecyl phosphite);titanium(4+)
CID 160640114
bis(ditridecyl phosphite);hydron;tris(2-methylprop-2-en-1-olate);propan-2-olate;titanium(4+)
CID 165361150
lithium dioctyl phosphite
CID 174541245
sodium didodecyl phosphite
CID 23710886
didecyl hydrogen phosphite
CID 14151265
disodium;hexyl phosphite
CID 139691830
azane;hexyl dihydrogen phosphite
CID 173357133
1-dodecoxydodecane;lanthanum(3+);tris(propan-2-olate)
CID 174830445
propyl tetradecyl hydrogen phosphite
CID 121403997
ethyl-hexoxy-dihydroxyphosphanium
CID 170563061
pentadecoxyphosphonamidous acid
CID 149252404

Frequently Asked Questions

What is the IUPAC name of didodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+)?
The IUPAC name of didodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+) (CID 170844744) is didodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+).
What is the SMILES notation for didodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+)?
The canonical SMILES for didodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+) is CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CCCCCCCCCCCCOP(O)[OH+]CCCCCCCCCCCC.CCCCCCCCCCCCOP([O-])OCCCCCCCCCCCC.[Ti+4].
What is the InChIKey of didodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+)?
The InChIKey is QOHLLWRTFGWBPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H51O3P.C24H50O3P.4C3H7O.Ti/c2*1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2;4*1-3(2)4;/h25H,3-24H2,1-2H3;3-24H2,1-2H3;4*3H,1-2H3;/q;5*-1;+4/p+1.
What are the key properties of didodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+)?
didodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+) has a molecular weight of 1121.50 g/mol, XLogP of 16.06, 48 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for didodecyl phosphite;[dodecoxy(hydroxy)phosphanyl]-dodecyloxidanium;tetrakis(propan-2-olate);titanium(4+) is sourced from PubChem (CID 170844744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).