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Chemical ID: 5179148
Chemical ID:
5179148
Name [?]:
(2-methyl-1-cyclohex-2-enyl)oxybenzene
SMILES [?]:
CC1=CCCCC1Oc2ccccc2
InChi [?]:
InChI=1/C13H16O/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-4,7-9,13H,5-6,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,4,5,3,10,14,6,2,9,7,8/E:(3,4)(8,9)/rA:14cCCCCCCCOCCCCCC/rB:s1;d2;s3;s4;s5;s2s6;s7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.22763 |
Area: | 352.873 |
Solvation: | -1.59421 |
Coulombic: | -10.6456 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 188.266 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.37 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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