Chemical ID: 4574742

CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C
Chemical ID:
4574742
Name [?]:
(3-allyl-2-methyl-4-oxo-1-cyclopent-2-enyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILES [?]:
CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C
InChi [?]:
InChI=1/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3
InChi Info:
AuxInfo=1/0/N:22,18,19,1,14,15,21,20,16,6,17,2,3,12,4,7,11,9,13,5,10,8/E:(2,3)(5,6)/rA:22cCCCCOCCOCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;s4;s2s6;s7;s8;d9;s9;s11;s11s12;s13;s13;s12;d16;s17;s17;s3;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:3
ZAP Information [?]
Total:11.0692
Area:544.871
Solvation:-2.55255
Coulombic:-29.2916
Bond Count [?]
All:23
Single:18
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:302.408
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.64
LogP (Chemaxon):4.05

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