Chemical ID: 5571778

CCOC(=O)C1=CC2(CCC1C2(C)C)C
Chemical ID:
5571778
Name [?]:
ethyl 1,7,7-trimethylbicyclo[2.2.1]hept-5-ene-5-carboxylate
SMILES [?]:
CCOC(=O)C1=CC2(CCC1C2(C)C)C
InChi [?]:
InChI=1/C13H20O2/c1-5-15-11(14)9-8-13(4)7-6-10(9)12(13,2)3/h8,10H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,14,15,2,10,9,7,6,11,4,12,8,5,3/E:(2,3)/rA:15cCCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s6s10;s8s11;s12;s12;s8;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:8.55157
Area:391.419
Solvation:-1.2339
Coulombic:-21.6142
Bond Count [?]
All:16
Single:14
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:208.297
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.84
LogP (Chemaxon):2.83

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Descriptor Annotations

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