Chemical ID: 4561271

CC1=CCCC2(C1=CC3C(C2)OC(=O)C3=C)C
Chemical ID:
4561271
Name [?]:
None
SMILES [?]:
CC1=CCCC2(C1=CC3C(C2)OC(=O)C3=C)C
InChi [?]:
InChI=1/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h5,7,11,13H,2,4,6,8H2,1,3H3
InChi Info:
AuxInfo=1/0/N:1,16,17,4,3,5,8,11,2,15,9,7,10,13,6,14,12/rA:17cCCCCCCCCCCCOCOCCC/rB:s1;d2;s3;s4;s5;s2s6;d7;s8;s9;s6s10;s10;s12;d13;s9s13;d15;s6;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:3
ZAP Information [?]
Total:7.33288
Area:379.983
Solvation:-2.16671
Coulombic:-21.5255
Bond Count [?]
All:19
Single:15
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:230.302
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.11
LogP (Chemaxon):2.42

Name Annotations

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Descriptor Annotations

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