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Chemical ID: 5160980
Chemical ID:
5160980
Name [?]:
4a,5,6-trimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
SMILES [?]:
CC1CCC2=CC(=O)CCC2(C1C)C
InChi [?]:
InChI=1/C13H20O/c1-9-4-5-11-8-12(14)6-7-13(11,3)10(9)2/h8-10H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,14,3,4,9,10,6,2,12,5,7,11,8/rA:14cCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s5s10;s2s11;s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.33317 |
Area: | 350.301 |
Solvation: | -1.42436 |
Coulombic: | -9.30549 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 192.297 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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