Chemical ID: 5154910

CC1CCC2C(=CC(=O)CC2(C)C)C1
Chemical ID:
5154910
Name [?]:
4,4,7-trimethyl-3,4a,5,6,7,8-hexahydronaphthalen-2-one
SMILES [?]:
CC1CCC2C(=CC(=O)CC2(C)C)C1
InChi [?]:
InChI=1/C13H20O/c1-9-4-5-12-10(6-9)7-11(14)8-13(12,2)3/h7,9,12H,4-6,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,13,3,4,14,7,10,2,6,8,5,11,9/E:(2,3)/rA:14cCCCCCCCCOCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s5s10;s11;s11;s2s6;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:7.49396
Area:355.814
Solvation:-1.40138
Coulombic:-9.47438
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:3.65
LogP (Chemaxon):3.47

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