Chemical ID: 6335858

C1CCC(=CC1)C2CCCCC2=O
Chemical ID:
6335858
Name [?]:
2-(1-cyclohexenyl)cyclohexan-1-one
SMILES [?]:
C1CCC(=CC1)C2CCCCC2=O
InChi [?]:
InChI=1/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2
InChi Info:
AuxInfo=1/0/N:1,6,2,9,10,5,3,8,11,4,7,12,13/rA:13cCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s1s5;s4;s7;s8;s9;s10;s7s11;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.90714
Area:341.981
Solvation:-1.64239
Coulombic:-8.57275
Bond Count [?]
All:14
Single:12
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:178.271
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.7
LogP (Chemaxon):3.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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