Chemical ID: 6686528

CC1=C(C(=C(C1)C)C)C
Chemical ID:
6686528
Name [?]:
1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILES [?]:
CC1=C(C(=C(C1)C)C)C
InChi [?]:
InChI=1/C9H14/c1-6-5-7(2)9(4)8(6)3/h5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,9,8,6,2,5,3,4/E:(1,2)(3,4)(6,7)(8,9)/rA:9nCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s4;s3;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:6.86589
Area:289.502
Solvation:-0.371664
Coulombic:-1.10577
Bond Count [?]
All:9
Single:7
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:122.207
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.91
LogP (Chemaxon):2.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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