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Chemical ID: 5249896
Chemical ID:
5249896
Name [?]:
(4-methylcyclohexyl) 1-hydroxycyclohexane-1-carboxylate
SMILES [?]:
CC1CCC(CC1)OC(=O)C2(CCCCC2)O
InChi [?]:
InChI=1/C14H24O3/c1-11-5-7-12(8-6-11)17-13(15)14(16)9-3-2-4-10-14/h11-12,16H,2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,3,7,4,6,12,16,2,5,9,11,10,17,8/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCCCCCCCOCOCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;s13;s14;s11s15;s11;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H24O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9712 |
Area: | 428.513 |
Solvation: | -1.74163 |
Coulombic: | -39.3897 |
Bond Count [?]
All: | 18 |
Single: | 17 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 240.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.12 |
LogP (Chemaxon): | 2.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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