Chemical ID: 5052704

CCCOC(=O)CCC1CCCCC1
Chemical ID:
5052704
Name [?]:
propyl 3-cyclohexylpropanoate
SMILES [?]:
CCCOC(=O)CCC1CCCCC1
InChi [?]:
InChI=1/C12H22O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h11H,2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,10,14,8,7,3,9,5,6,4/E:(4,5)(6,7)/rA:14nCCCOCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.81658
Area:409.225
Solvation:-1.41404
Coulombic:-19.9326
Bond Count [?]
All:14
Single:13
Double:1
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:198.302
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.29
LogP (Chemaxon):3.11

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Experimental Annotations

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Descriptor Annotations

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