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Chemical ID: 4961289
Chemical ID:
4961289
Name [?]:
1-(3,3,8,8-tetramethyl-1,2,4,5,6,7-hexahydronaphthalen-2-yl)ethanone
SMILES [?]:
CC(=O)C1CC2=C(CCCC2(C)C)CC1(C)C
InChi [?]:
InChI=1/C16H26O/c1-11(17)13-9-14-12(10-16(13,4)5)7-6-8-15(14,2)3/h13H,6-10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,12,13,16,17,9,8,10,5,14,2,7,4,6,11,15,3/E:(2,3)(4,5)/rA:17cCCOCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;s8;s9;s6s10;s11;s11;s7;s4s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.60243 |
Area: | 404.983 |
Solvation: | -1.52215 |
Coulombic: | -8.60224 |
Bond Count [?]
All: | 18 |
Single: | 16 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 234.377 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.06 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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