Chemical ID: 5160980

CC1CCC2=CC(=O)CCC2(C1C)C
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

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Descriptor Annotations

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