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Chemical ID: 7450262

COCCCN1C(C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O)c4cccc(c4)OCC=C

Chemical ID:

7450262

Name [?]:

5-(3-allyloxyphenyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl-hydroxy-methylene)-1-(3-methoxypropyl)pyrrolidine-2,3-dione

SMILES [?]:

COCCCN1C(C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O)c4cccc(c4)OCC=C

InChi [?]:

InChI=1/C26H27NO7/c1-3-11-32-19-7-4-6-17(15-19)23-22(25(29)26(30)27(23)10-5-12-31-2)24(28)18-8-9-20-21(16-18)34-14-13-33-20/h3-4,6-9,15-16,23,28H,1,5,10-14H2,2H3

InChi Info:

AuxInfo=1/0/N:34,1,33,27,4,26,28,11,12,5,32,3,18,17,30,15,25,10,29,13,14,8,7,9,21,23,6,20,22,24,2,31,19,16/rA:34cCOCCCNCCCCCCCCCOCCOOCOCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;w8;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;s13s18;s9;s8;d21;s6s21;d23;s7;s25;d26;s27;d28;d25s29;s29;s31;s32;d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₇NO₇
All Atoms:	61
Heavy Atoms:	34
Chiral Atoms:	None

ZAP Information [?]

Total:	8.42486
Area:	660.966
Solvation:	-8.09928
Coulombic:	-76.0406

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.87
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value