Chemical ID: 6529813

CC(C)c1ccc(cc1)C(C)C
Chemical ID:
6529813
Name [?]:
1,4-diisopropylbenzene
SMILES [?]:
CC(C)c1ccc(cc1)C(C)C
InChi [?]:
InChI=1/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,11,12,5,9,6,8,2,10,4,7/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)/rA:12nCCCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:8.32098
Area:351.923
Solvation:-0.477103
Coulombic:-3.2407
Bond Count [?]
All:12
Single:9
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:162.271
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.83
LogP (Chemaxon):4.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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