Chemical ID: 4963704

CC1=C(C(CCC1)(C)C)C=CC(=CC=O)C
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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