Chemical ID: 6510418

CC(C)OC(=O)C1CC2CC1C=C2
Chemical ID:
6510418
Name [?]:
isopropyl bicyclo[2.2.1]hept-2-ene-5-carboxylate
SMILES [?]:
CC(C)OC(=O)C1CC2CC1C=C2
InChi [?]:
InChI=1/C11H16O2/c1-7(2)13-11(12)10-6-8-3-4-9(10)5-8/h3-4,7-10H,5-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,13,12,10,8,2,9,11,7,5,6,4/E:(1,2)/rA:13cCCCOCOCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s7s10;s11;s9d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:3
ZAP Information [?]
Total:7.52594
Area:352.036
Solvation:-1.27497
Coulombic:-20.1481
Bond Count [?]
All:14
Single:12
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:180.244
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.62
LogP (Chemaxon):2.0

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