Home Other Building Blocks 2,2-Di-n-octyl-1,3-propanediol

2,2-Di-n-octyl-1,3-propanediol

CAS No.:
106868-09-1
Catalog Number:
AG003FC0
Molecular Formula:
C19H40O2
Molecular Weight:
300.5197
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>95.0%(GC)
1 week
United States
$257
- +
5g
>95.0%(GC)
1 week
United States
$717
- +
Product Description
Catalog Number:
AG003FC0
Chemical Name:
2,2-Di-n-octyl-1,3-propanediol
CAS Number:
106868-09-1
Molecular Formula:
C19H40O2
Molecular Weight:
300.5197
MDL Number:
MFCD03844790
IUPAC Name:
2,2-dioctylpropane-1,3-diol
InChI:
InChI=1S/C19H40O2/c1-3-5-7-9-11-13-15-19(17-20,18-21)16-14-12-10-8-6-4-2/h20-21H,3-18H2,1-2H3
InChI Key:
NFPNQEAEXIXGNY-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(CCCCCCCC)(CO)CO
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.303g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
300.527g/mol
Monoisotopic Mass:
300.303g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3  
Properties