Chemical ID: 6658367

CC1CC(CC(C1)(C)C)OC(=O)c2ccccc2O
Chemical ID:
6658367
Name [?]:
(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
SMILES [?]:
CC1CC(CC(C1)(C)C)OC(=O)c2ccccc2O
InChi [?]:
InChI=1/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,9,15,16,14,17,3,7,5,2,4,13,18,11,6,19,12,10/E:(2,3)/rA:19cCCCCCCCCCOCOCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s4;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:9.21989
Area:460.331
Solvation:-2.28838
Coulombic:-38.3244
Bond Count [?]
All:20
Single:16
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:262.344
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.98
LogP (Chemaxon):4.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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