Chemical ID: 4558113

CC(C)C1CC(=O)C=C2C1CCCC2
Chemical ID:
4558113
Name [?]:
4-isopropyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
SMILES [?]:
CC(C)C1CC(=O)C=C2C1CCCC2
InChi [?]:
InChI=1/C13H20O/c1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13/h7,9,12-13H,3-6,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,13,12,14,11,8,5,2,9,6,10,4,7/E:(1,2)/rA:14cCCCCCCOCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;d8;s4s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:7.10545
Area:339.618
Solvation:-1.38501
Coulombic:-9.4965
Bond Count [?]
All:15
Single:13
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:192.297
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.61
LogP (Chemaxon):3.44

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue