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Chemical ID: 5571245
Chemical ID:
5571245
Name [?]:
2-phenyl-1-(1,2,2,3-tetramethylcyclopentyl)-ethanone
SMILES [?]:
CC1CCC(C1(C)C)(C)C(=O)Cc2ccccc2
InChi [?]:
InChI=1/C17H24O/c1-13-10-11-17(4,16(13,2)3)15(18)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,8,9,16,15,17,14,18,3,4,12,2,13,10,6,5,11/E:(2,3)(6,7)(8,9)/rA:18cCCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s6;s5;s5;d10;s10;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.63515 |
Area: | 425.423 |
Solvation: | -2.00043 |
Coulombic: | -10.3073 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 244.372 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.88 |
LogP (Chemaxon): | 5.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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