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Chemical ID: 6506182
Chemical ID:
6506182
Name [?]:
None
SMILES [?]:
CC1CCC2C(CCCC23C1(CC(=O)O3)C)(C)C
InChi [?]:
InChI=1/C16H26O2/c1-11-6-7-12-14(2,3)8-5-9-16(12)15(11,4)10-13(17)18-16/h11-12H,5-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,18,16,8,3,4,7,9,12,2,5,13,6,11,10,14,15/E:(2,3)/rA:18cCCCCCCCCCCCCCOOCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;d13;s10s13;s11;s6;s6;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.93133 |
Area: | 397.381 |
Solvation: | -2.0032 |
Coulombic: | -19.852 |
Bond Count [?]
All: | 20 |
Single: | 19 |
Double: | 1 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 250.376 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.88 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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