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Chemical ID: 4963704
Chemical ID:
4963704
Name [?]:
3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-penta-2,4-dienal
SMILES [?]:
CC1=C(C(CCC1)(C)C)C=CC(=CC=O)C
InChi [?]:
InChI=1/C15H22O/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h7-9,11H,5-6,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:16,1,8,9,6,7,11,10,13,5,14,12,2,3,4,15/E:(3,4)/rA:16nCCCCCCCCCCCCCCOC/rB:s1;d2;s3;s4;s5;s2s6;s4;s4;s3;w10;s11;w12;s13;d14;s12;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.98256 |
Area: | 391.471 |
Solvation: | -1.8042 |
Coulombic: | -9.39436 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 218.335 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.22 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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