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Chemical ID: 4912527
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
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Experimental Annotations
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Descriptor Annotations
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