Chemical ID: 6685319

CC1(CCCCC1=O)C
Chemical ID:
6685319
Name [?]:
2,2-dimethylcyclohexan-1-one
SMILES [?]:
CC1(CCCCC1=O)C
InChi [?]:
InChI=1/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,5,4,6,3,7,2,8/E:(1,2)/rA:9nCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;d7;s2;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H14O
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:5.4562
Area:274.925
Solvation:-1.41692
Coulombic:-8.00222
Bond Count [?]
All:9
Single:8
Double:1
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:126.196
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.41
LogP (Chemaxon):2.76

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Experimental Annotations

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Descriptor Annotations

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