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Home > Aldehydes > 849238-20-6
849238-20-6 | Benzaldehyde, 3-(octyloxy)-2-[2-[2-[2-(octyloxy)phenoxy]ethoxy]ethoxy]-
CAS No: 849238-20-6 Catalog No: AG004LL6 MDL No:
Product Description
Catalog Number:
AG004LL6
Chemical Name:
Benzaldehyde, 3-(octyloxy)-2-[2-[2-[2-(octyloxy)phenoxy]ethoxy]ethoxy]-
CAS Number:
849238-20-6
Molecular Formula:
C33H50O6
Molecular Weight:
542.7465
IUPAC Name:
3-octoxy-2-[2-[2-(2-octoxyphenoxy)ethoxy]ethoxy]benzaldehyde
InChI:
InChI=1S/C33H50O6/c1-3-5-7-9-11-15-22-36-30-19-13-14-20-31(30)38-26-24-35-25-27-39-33-29(28-34)18-17-21-32(33)37-23-16-12-10-8-6-4-2/h13-14,17-21,28H,3-12,15-16,22-27H2,1-2H3
InChI Key:
MWXFSWINYJVVRL-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccccc1OCCOCCOc1c(OCCCCCCCC)cccc1C=O
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
542.361g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
542.757g/mol
Monoisotopic Mass:
542.361g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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