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90934-80-8

90934-80-8 | Decanal, 2-(1,5-dimethyl-4-hexenyl)-5,9-dimethyl-3-oxo-

CAS No: 90934-80-8 Catalog No: AG006GDP MDL No:

Product Description

Catalog Number:
AG006GDP
Chemical Name:
Decanal, 2-(1,5-dimethyl-4-hexenyl)-5,9-dimethyl-3-oxo-
CAS Number:
90934-80-8
Molecular Formula:
C20H36O2
Molecular Weight:
308.4986
IUPAC Name:
5,9-dimethyl-2-(6-methylhept-5-en-2-yl)-3-oxodecanal
InChI:
InChI=1S/C20H36O2/c1-15(2)9-7-11-17(5)13-20(22)19(14-21)18(6)12-8-10-16(3)4/h10,14-15,17-19H,7-9,11-13H2,1-6H3
InChI Key:
CXVMGAIIBLBQTI-UHFFFAOYSA-N
SMILES:
O=CC(C(=O)CC(CCCC(C)C)C)C(CCC=C(C)C)C

Properties

Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.272g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.506g/mol
Monoisotopic Mass:
308.272g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6  

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