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Chemical ID: 6551136
Chemical ID:
6551136
Name [?]:
None
SMILES [?]:
c1ccc(cc1)OC2CC3CCC2C4C3C=C4
InChi [?]:
InChI=1/C16H18O/c1-2-4-12(5-3-1)17-16-10-11-6-7-15(16)14-9-8-13(11)14/h1-5,8-9,11,13-16H,6-7,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,12,16,17,9,10,4,15,14,13,8,7/E:(2,3)(4,5)/rA:17cCCCCCCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s13;s10s14;s15;s14d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 8.3861 |
Area: | 392.05 |
Solvation: | -1.41516 |
Coulombic: | -11.2495 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 226.314 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.38 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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