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Chemical ID: 5571439
Chemical ID:
5571439
Name [?]:
2-(hydroxymethyl)-3-isopropyl-6-methyl-cyclohexan-1-one
SMILES [?]:
CC1CCC(C(C1=O)CO)C(C)C
InChi [?]:
InChI=1/C11H20O2/c1-7(2)9-5-4-8(3)11(13)10(9)6-12/h7-10,12H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:12,13,1,3,4,9,11,2,5,6,7,10,8/E:(1,2)/rA:13cCCCCCCCOCOCCC/rB:s1;s2;s3;s4;s5;s2s6;d7;s6;s9;s5;s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H20O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 5.52916 |
Area: | 342.021 |
Solvation: | -3.02135 |
Coulombic: | -24.2651 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 184.275 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.96 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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