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Chemical ID: 5135428
Chemical ID:
5135428
Name [?]:
4-tert-butylcyclohexane-1-carboxylic acid
SMILES [?]:
CC(C)(C)C1CCC(CC1)C(=O)O
InChi [?]:
InChI=1/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,9,6,10,8,5,11,2,12,13/E:(1,2,3)(4,5)(6,7)(12,13)/rA:13nCCCCCCCCCCCOO/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s8;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H20O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.54501 |
Area: | 355.549 |
Solvation: | -1.34371 |
Coulombic: | -28.0249 |
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: | 4.02 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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