Chemical ID: 4758899

CC(C)(C)C(Cc1ccccc1)C(=O)O
Chemical ID:
4758899
Name [?]:
2-benzyl-3,3-dimethyl-butanoic acid
SMILES [?]:
CC(C)(C)C(Cc1ccccc1)C(=O)O
InChi [?]:
InChI=1/C13H18O2/c1-13(2,3)11(12(14)15)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,9,11,8,12,6,7,5,13,2,14,15/E:(1,2,3)(5,6)(7,8)(14,15)/rA:15cCCCCCCCCCCCCCOO/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s5;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.65806
Area:372.526
Solvation:-1.65509
Coulombic:-28.8054
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:206.281
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.59
LogP (Chemaxon):3.8

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Descriptor Annotations

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