Chemical ID: 6551136

c1ccc(cc1)OC2CC3CCC2C4C3C=C4
Chemical ID:
6551136
Name [?]:
None
SMILES [?]:
c1ccc(cc1)OC2CC3CCC2C4C3C=C4
InChi [?]:
InChI=1/C16H18O/c1-2-4-12(5-3-1)17-16-10-11-6-7-15(16)14-9-8-13(11)14/h1-5,8-9,11,13-16H,6-7,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,12,16,17,9,10,4,15,14,13,8,7/E:(2,3)(4,5)/rA:17cCCCCCCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s13;s10s14;s15;s14d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:5
ZAP Information [?]
Total:8.3861
Area:392.05
Solvation:-1.41516
Coulombic:-11.2495
Bond Count [?]
All:20
Single:16
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:226.314
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.38
LogP (Chemaxon):3.51

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