Chemical ID: 4957193

CC1(CCC(c2c1cc(c(c2)OC)OC)(C)C)C
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

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