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27864-29-5 | [2,2'-Binaphthalene]-8,8'-dicarboxaldehyde,1,1',6,6',7,7'-hexamethoxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-
CAS No: 27864-29-5 Catalog No: AG007JTQ MDL No:
Product Description
Catalog Number:
AG007JTQ
Chemical Name:
[2,2'-Binaphthalene]-8,8'-dicarboxaldehyde,1,1',6,6',7,7'-hexamethoxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-
CAS Number:
27864-29-5
Molecular Formula:
C36H42O8
Molecular Weight:
602.7139
IUPAC Name:
7-(8-formyl-1,6,7-trimethoxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trimethoxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
InChI:
InChI=1S/C36H42O8/c1-17(2)25-21-13-19(5)27(33(41-9)29(21)23(15-37)31(39-7)35(25)43-11)28-20(6)14-22-26(18(3)4)36(44-12)32(40-8)24(16-38)30(22)34(28)42-10/h13-18H,1-12H3
InChI Key:
UBNXLZMXWUQSCB-UHFFFAOYSA-N
SMILES:
COc1c(c(C)cc2c1c(C=O)c(OC)c(c2C(C)C)OC)c1c(C)cc2c(c1OC)c(C=O)c(c(c2C(C)C)OC)OC
NSC Number:
89311
Properties
Complexity:
867
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
602.288g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
602.724g/mol
Monoisotopic Mass:
602.288g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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