Chemical ID: 5249896

CC1CCC(CC1)OC(=O)C2(CCCCC2)O
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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