Chemical ID: 4724987

CC(=O)OC1CC2CC1C3C2CC=C3
Chemical ID:
4724987
Name [?]:
None
SMILES [?]:
CC(=O)OC1CC2CC1C3C2CC=C3
InChi [?]:
InChI=1/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,8,6,2,7,11,10,9,5,3,4/rA:14cCCOOCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s5s8;s9;s7s10;s11;s12;s10d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:5
ZAP Information [?]
Total:7.4442
Area:358.543
Solvation:-1.51938
Coulombic:-19.3997
Bond Count [?]
All:16
Single:14
Double:2
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:192.254
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.69
LogP (Chemaxon):1.58

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