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Chemical ID: 6692057
Chemical ID:
6692057
Name [?]:
1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-4-ol
SMILES [?]:
CC(C)C12CCC(C1C2)(C)O
InChi [?]:
InChI=1/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,10,6,5,9,2,8,7,4,11/E:(1,2)/rA:11cCCCCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s4s7;s4s8;s7;s7;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H18O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 6.60371 |
Area: | 317.191 |
Solvation: | -1.32607 |
Coulombic: | -18.1183 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 154.249 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.76 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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