Chemical ID: 5247958

C1CCC(CC1)CCCC(=O)OC2CCCCC2
Chemical ID:
5247958
Name [?]:
cyclohexyl 4-cyclohexylbutanoate
SMILES [?]:
C1CCC(CC1)CCCC(=O)OC2CCCCC2
InChi [?]:
InChI=1/C16H28O2/c17-16(18-15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h14-15H,1-13H2
InChi Info:
AuxInfo=1/0/N:1,16,2,6,15,17,8,3,5,7,14,18,9,4,13,10,11,12/E:(3,4)(5,6)(8,9)(11,12)/rA:18nCCCCCCCCCCOOCCCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H28O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.525
Area:474.674
Solvation:-1.34183
Coulombic:-20.8531
Bond Count [?]
All:19
Single:18
Double:1
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:252.392
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.9
LogP (Chemaxon):4.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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