Chemical ID: 4912527

C1CCC(CC1)(C(=O)OC2CCCC2)O
Chemical ID:
4912527
Name [?]:
cyclopentyl 1-hydroxycyclohexane-1-carboxylate
SMILES [?]:
C1CCC(CC1)(C(=O)OC2CCCC2)O
InChi [?]:
InChI=1/C12H20O3/c13-11(15-10-6-2-3-7-10)12(14)8-4-1-5-9-12/h10,14H,1-9H2
InChi Info:
AuxInfo=1/0/N:1,12,13,2,6,11,14,3,5,10,7,4,8,15,9/E:(2,3)(4,5)(6,7)(8,9)/rA:15nCCCCCCCOOCCCCCO/rB:s1;s2;s3;s4;s1s5;s4;d7;s7;s9;s10;s11;s12;s10s13;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.01775
Area:390.045
Solvation:-1.73337
Coulombic:-38.7778
Bond Count [?]
All:16
Single:15
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:212.285
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.04
LogP (Chemaxon):2.07

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