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Chemical ID: 5087495
Chemical ID:
5087495
Name [?]:
cycloheptadec-9-en-1-one
SMILES [?]:
C1CCCC=CCCCCCCCC(=O)CCC1
InChi [?]:
InChI=1/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2
InChi Info:
AuxInfo=1/0/N:5,6,4,7,3,8,2,9,1,10,18,11,17,12,16,13,14,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:18nCCCCCCCCCCCCCCOCCC/rB:s1;s2;s3;s4;w5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s14;s16;s1s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H30O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66868 |
Area: | 455.482 |
Solvation: | -1.71836 |
Coulombic: | -10.6188 |
Bond Count [?]
All: | 18 |
Single: | 16 |
Double: | 2 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 250.419 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.4 |
LogP (Chemaxon): | 5.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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