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Chemical ID: 6666909
Chemical ID:
6666909
Name [?]:
4-methyl-2-(2,6,6-trimethyl-1-cyclohexenyl)-furan
SMILES [?]:
Cc1cc(oc1)C2=C(CCCC2(C)C)C
InChi [?]:
InChI=1/C14H20O/c1-10-8-12(15-9-10)13-11(2)6-5-7-14(13,3)4/h8-9H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,15,13,14,10,9,11,3,6,2,8,4,7,12,5/E:(3,4)/rA:15nCCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d2s5;s4;d7;s8;s9;s10;s7s11;s12;s12;s8;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.9565 |
Area: | 377.004 |
Solvation: | -1.4686 |
Coulombic: | -8.63087 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 204.308 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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