Chemical ID: 6683634

CC1C2CC2(CC1=O)C(C)C
Chemical ID:
6683634
Name [?]:
5-isopropyl-2-methyl-bicyclo[3.1.0]hexan-3-one
SMILES [?]:
CC1C2CC2(CC1=O)C(C)C
InChi [?]:
InChI=1/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:10,11,1,4,6,9,2,3,7,5,8/E:(1,2)/rA:11cCCCCCCCOCCC/rB:s1;s2;s3;s3s4;s5;s2s6;d7;s5;s9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H16O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:3
ZAP Information [?]
Total:6.42392
Area:317.423
Solvation:-1.51166
Coulombic:-7.96196
Bond Count [?]
All:12
Single:11
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:152.233
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.43
LogP (Chemaxon):2.61

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Experimental Annotations

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Descriptor Annotations

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