Chemical ID: 5789064

COc1c(cc2c(c1OC)OCO2)CC=C
Chemical ID:
5789064
Name [?]:
6-allyl-4,5-dimethoxy-benzo[1,3]dioxole
SMILES [?]:
COc1c(cc2c(c1OC)OCO2)CC=C
InChi [?]:
InChI=1/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3
InChi Info:
AuxInfo=1/0/N:16,1,10,15,14,5,12,4,6,3,7,8,2,9,13,11/rA:16nCOCCCCCCOCOCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s6s12;s4;s14;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.80225
Area:393.907
Solvation:-4.04544
Coulombic:-33.6437
Bond Count [?]
All:17
Single:13
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:222.237
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.42
LogP (Chemaxon):2.27

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Descriptor Annotations

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