CID 22152180
PubChem CID
22152180
Structure
Molecular Formula
Status
Non-live
Molecular Weight
707.7 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
dioxido(oxo)titanium;2-ethylhexan-1-ol;propane;titanium
InChI=1S/4C8H18O.C3H7.3O.2Ti/c4*1-3-5-6-8(4-2)7-9;1-3-2;;;;;/h4*8-9H,3-7H2,1-2H3;3H,1-2H3;;;;;/q;;;;-1;;2*-1;;
NMHHFNBVQAILPP-UHFFFAOYSA-N
CCCCC(CC)CO.CCCCC(CC)CO.CCCCC(CC)CO.CCCCC(CC)CO.C[CH-]C.[O-][Ti](=O)[O-].[Ti]
C35H79O7Ti2-3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
707.7 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
4
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
20
Property Name
Exact Mass
Property Value
707.478461 g/mol
Property Name
Monoisotopic Mass
Property Value
707.478461 g/mol
Property Name
Topological Polar Surface Area
Property Value
144 A^2
Property Name
Heavy Atom Count
Property Value
44
Property Name
Formal Charge
Property Value
-3
Property Name
Complexity
Property Value
315
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
4
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
7
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS