Chemical ID: 5015197

C1CC(CC=C1)COC(=O)C2CCC=CC2
Chemical ID:
5015197
Name [?]:
1-cyclohex-3-enylmethyl cyclohex-3-ene-1-carboxylate
SMILES [?]:
C1CC(CC=C1)COC(=O)C2CCC=CC2
InChi [?]:
InChI=1/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2
InChi Info:
AuxInfo=1/0/N:6,14,5,1,15,13,4,2,16,12,7,3,11,9,10,8/rA:16cCCCCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s1d5;s3;s7;s8;d9;s9;s11;s12;s13;d14;s11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:9.04716
Area:418.056
Solvation:-1.40422
Coulombic:-21.7073
Bond Count [?]
All:17
Single:14
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:220.307
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.57
LogP (Chemaxon):3.12

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Descriptor Annotations

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