Chemical ID: 5071167

CCC(C1CCCCC1)C(=O)O
Chemical ID:
5071167
Name [?]:
2-cyclohexylbutanoic acid
SMILES [?]:
CCC(C1CCCCC1)C(=O)O
InChi [?]:
InChI=1/C10H18O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,9,4,3,10,11,12/E:(4,5)(6,7)(11,12)/rA:12cCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s3;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H18O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:7.09119
Area:334.085
Solvation:-1.26092
Coulombic:-27.9784
Bond Count [?]
All:12
Single:11
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:170.249
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.48
LogP (Chemaxon):2.83

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Descriptor Annotations

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