Chemical ID: 3968953

CC(=Cc1ccc(cc1)C(=O)O)c2ccc3c(c2)C(CCC3(C)C)(C)C
Chemical ID:
3968953
Name [?]:
4-[2-(5,5,8,8-tetramethyltetralin-2-yl)prop-1-enyl]benzoic acid
SMILES [?]:
CC(=Cc1ccc(cc1)C(=O)O)c2ccc3c(c2)C(CCC3(C)C)(C)C
InChi [?]:
InChI=1/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,23,24,25,26,5,9,6,8,14,15,21,20,3,18,2,4,7,13,16,17,10,22,19,11,12/E:(2,3)(4,5)(6,7)(8,9)(25,26)/rA:26nCCCCCCCCCCOOCCCCCCCCCCCCCC/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s2;s13;d14;s15;d16;d13s17;s17;s19;s20;s16s21;s22;s22;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.5435
Area:571.657
Solvation:-1.74793
Coulombic:-32.2118
Bond Count [?]
All:28
Single:20
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:348.478
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.65
LogP (Chemaxon):6.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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