Chemical ID: 5203678

CC1=CCCC(C1C=CC(=CC(=O)O)C)(C)C
Chemical ID:
5203678
Name [?]:
3-methyl-5-(2,6,6-trimethyl-1-cyclohex-2-enyl)-penta-2,4-dienoic acid
SMILES [?]:
CC1=CCCC(C1C=CC(=CC(=O)O)C)(C)C
InChi [?]:
InChI=1/C15H22O2/c1-11(10-14(16)17)7-8-13-12(2)6-5-9-15(13,3)4/h6-8,10,13H,5,9H2,1-4H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:15,1,16,17,4,3,9,8,5,11,10,2,7,12,6,13,14/E:(3,4)(16,17)/rA:17cCCCCCCCCCCCCOOCCC/rB:s1;d2;s3;s4;s5;s2s6;s7;w8;s9;w10;s11;d12;s12;s10;s6;s6;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.57722
Area:401.515
Solvation:-1.46064
Coulombic:-29.9919
Bond Count [?]
All:17
Single:13
Double:4
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:234.334
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.62
LogP (Chemaxon):3.69

Name Annotations

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Descriptor Annotations

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