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Home > Aldehydes > 919301-89-6
919301-89-6 | 1,3-Cyclohexadiene-1-carboxaldehyde, 4,6-dihexyl-6-methyl-, (6S)-
CAS No: 919301-89-6 Catalog No: AG006763 MDL No:
Product Description
Catalog Number:
AG006763
Chemical Name:
1,3-Cyclohexadiene-1-carboxaldehyde, 4,6-dihexyl-6-methyl-, (6S)-
CAS Number:
919301-89-6
Molecular Formula:
C20H34O
Molecular Weight:
290.4834
IUPAC Name:
(6S)-4,6-dihexyl-6-methylcyclohexa-1,3-diene-1-carbaldehyde
InChI:
InChI=1S/C20H34O/c1-4-6-8-10-12-18-13-14-19(17-21)20(3,16-18)15-11-9-7-5-2/h13-14,17H,4-12,15-16H2,1-3H3/t20-/m0/s1
InChI Key:
DEMYMBOLBBSDPX-FQEVSTJZSA-N
SMILES:
CCCCCCC1=CC=C([C@@](C1)(C)CCCCCC)C=O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
290.261g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.491g/mol
Monoisotopic Mass:
290.261g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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