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Chemical ID: 6529813
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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