Chemical ID: 5250467

CCOc1ccccc1C(=O)OC2CCC(CC2)C
Chemical ID:
5250467
Name [?]:
(4-methylcyclohexyl) 2-ethoxybenzoate
SMILES [?]:
CCOc1ccccc1C(=O)OC2CCC(CC2)C
InChi [?]:
InChI=1/C16H22O3/c1-3-18-15-7-5-4-6-14(15)16(17)19-13-10-8-12(2)9-11-13/h4-7,12-13H,3,8-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,7,6,8,5,15,17,14,18,16,13,9,4,10,11,3,12/E:(8,9)(10,11)/rA:19nCCOCCCCCCCOOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.86695
Area:469.981
Solvation:-2.88257
Coulombic:-28.9338
Bond Count [?]
All:20
Single:16
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:262.344
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.63
LogP (Chemaxon):3.6

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