Chemical ID: 6918729

CC(=CC(=O)OC(C)(C)C1Cc2c(ccc3c2oc(=O)cc3)O1)C
Chemical ID:
6918729
Name [?]:
None
SMILES [?]:
CC(=CC(=O)OC(C)(C)C1Cc2c(ccc3c2oc(=O)cc3)O1)C
InChi [?]:
InChI=1/C19H20O5/c1-11(2)9-17(21)24-19(3,4)15-10-13-14(22-15)7-5-12-6-8-16(20)23-18(12)13/h5-9,15H,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,8,9,15,22,14,21,3,11,2,16,12,13,10,19,4,17,7,20,5,23,18,6/E:(1,2)(3,4)/rA:24cCCCCOOCCCCCCCCCCCOCOCCOC/rB:s1;d2;s3;d4;s4;s6;s7;s7;s7;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;d19;s19;s16d21;s10s13;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20O5
All Atoms:44
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.24891
Area:528.552
Solvation:-3.96488
Coulombic:-46.3516
Bond Count [?]
All:26
Single:19
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:328.359
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.36
LogP (Chemaxon):3.35

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Descriptor Annotations

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