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Home > Other Heterocycles > 88982-11-0
88982-11-0 | 2,4-Pentadienal, 3-methyl-5-(5-methylspiro[2.5]oct-4-en-4-yl)-, (E,E)-
CAS No: 88982-11-0 Catalog No: AG00454A MDL No:
Product Description
Catalog Number:
AG00454A
Chemical Name:
2,4-Pentadienal, 3-methyl-5-(5-methylspiro[2.5]oct-4-en-4-yl)-, (E,E)-
CAS Number:
88982-11-0
Molecular Formula:
C15H20O
Molecular Weight:
216.3187
IUPAC Name:
3-methyl-5-(7-methylspiro[2.5]oct-7-en-8-yl)penta-2,4-dienal
InChI:
InChI=1S/C15H20O/c1-12(7-11-16)5-6-14-13(2)4-3-8-15(14)9-10-15/h5-7,11H,3-4,8-10H2,1-2H3
InChI Key:
DPSDECGNLYISDJ-UHFFFAOYSA-N
SMILES:
O=C/C=C(/C=C/C1=C(C)CCCC21CC2)\C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.151g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.324g/mol
Monoisotopic Mass:
216.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.7
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