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Chemical ID: 5052704
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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