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70552-61-3 | (1E,4E,8S,9R)-5-methyl-8-[(2R)-6-methylhept-5-en-2-yl]cyclonona-1,4-diene-1,9-dicarbaldehyde
CAS No: 70552-61-3 Catalog No: AG0067FW MDL No:
Product Description
Catalog Number:
AG0067FW
Chemical Name:
(1E,4E,8S,9R)-5-methyl-8-[(2R)-6-methylhept-5-en-2-yl]cyclonona-1,4-diene-1,9-dicarbaldehyde
CAS Number:
70552-61-3
Molecular Formula:
C20H30O2
Molecular Weight:
302.4510
IUPAC Name:
(1R,9S)-6-methyl-9-[(2R)-6-methylhept-5-en-2-yl]cyclonona-2,5-diene-1,2-dicarbaldehyde
InChI:
InChI=1S/C20H30O2/c1-15(2)7-5-9-17(4)19-12-11-16(3)8-6-10-18(13-21)20(19)14-22/h7-8,10,13-14,17,19-20H,5-6,9,11-12H2,1-4H3/t17-,19+,20+/m1/s1
InChI Key:
FFNRZJMOPKJSEP-HOJAQTOUSA-N
SMILES:
O=C[C@H]1C(=CCC=C(CC[C@H]1[C@@H](CCC=C(C)C)C)C)C=O
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
302.225g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.458g/mol
Monoisotopic Mass:
302.225g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.8
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