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Chemical ID: 4957193
Chemical ID:
4957193
Name [?]:
6,7-dimethoxy-1,1,4,4-tetramethyl-tetralin
SMILES [?]:
CC1(CCC(c2c1cc(c(c2)OC)OC)(C)C)C
InChi [?]:
InChI=1/C16H24O2/c1-15(2)7-8-16(3,4)12-10-14(18-6)13(17-5)9-11(12)15/h9-10H,7-8H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,18,16,17,15,13,3,4,8,11,7,6,9,10,2,5,14,12/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCCCCCCCCCCCOCOCCCC/rB:s1;s2;s3;s4;s5;s2s6;d7;s8;d9;d6s10;s10;s12;s9;s14;s5;s5;s2;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.6321 |
Area: | 420.679 |
Solvation: | -3.88488 |
Coulombic: | -16.0028 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 248.361 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.88 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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