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Home > Aldehydes > 881181-67-5
881181-67-5 | ACETALDEHYDE, 2-[[1,3,5-TRIS(1,1-DIMETHYLETHYL)-4-OXO-2,5-CYCLOHEXADIEN-1-YL]OXY]-
CAS No: 881181-67-5 Catalog No: AG004IH3 MDL No:
Product Description
Catalog Number:
AG004IH3
Chemical Name:
ACETALDEHYDE, 2-[[1,3,5-TRIS(1,1-DIMETHYLETHYL)-4-OXO-2,5-CYCLOHEXADIEN-1-YL]OXY]-
CAS Number:
881181-67-5
Molecular Formula:
C20H32O3
Molecular Weight:
320.4663
IUPAC Name:
2-(1,3,5-tritert-butyl-4-oxocyclohexa-2,5-dien-1-yl)oxyacetaldehyde
InChI:
InChI=1S/C20H32O3/c1-17(2,3)14-12-20(19(7,8)9,23-11-10-21)13-15(16(14)22)18(4,5)6/h10,12-13H,11H2,1-9H3
InChI Key:
GKQDJPUYLAZGNR-UHFFFAOYSA-N
SMILES:
O=CCOC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.235g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.473g/mol
Monoisotopic Mass:
320.235g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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