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Chemical ID: 6486622
Chemical ID:
6486622
Name [?]:
1-(4-cyclopentylphenyl)hexan-1-one
SMILES [?]:
CCCCCC(=O)c1ccc(cc1)C2CCCC2
InChi [?]:
InChI=1/C17H24O/c1-2-3-4-9-17(18)16-12-10-15(11-13-16)14-7-5-6-8-14/h10-14H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,16,17,15,18,5,10,12,9,13,14,11,8,6,7/E:(5,6)(7,8)(10,11)(12,13)/rA:18nCCCCCCOCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3341 |
Area: | 475.573 |
Solvation: | -1.55523 |
Coulombic: | -11.1136 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 244.372 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.03 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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