Chemical ID: 5135428

CC(C)(C)C1CCC(CC1)C(=O)O
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

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