Chemical ID: 6919360

CCCCCC=CC(=O)CCc1ccc(c(c1)OC)O
Chemical ID:
6919360
Name [?]:
1-(4-hydroxy-3-methoxy-phenyl)dec-4-en-3-one
SMILES [?]:
CCCCCC=CC(=O)CCc1ccc(c(c1)OC)O
InChi [?]:
InChI=1/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,3,4,5,6,7,11,13,10,14,17,12,8,15,16,9,20,18/rA:20nCCCCCCCCOCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;w6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24O3
All Atoms:44
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.94531
Area:537.96
Solvation:-4.50367
Coulombic:-32.9589
Bond Count [?]
All:20
Single:15
Double:5
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:276.371
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.34
LogP (Chemaxon):4.77

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue