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Chemical ID: 6462993

CC(C)(C)c1cc(ccc1OC(=O)CCc2ccccc2)OC(=O)CCc3ccccc3

Chemical ID:

6462993

Name [?]:

[4-(3-phenylpropanoyloxy)-2-tert-butyl-phenyl] 3-phenylpropanoate

SMILES [?]:

CC(C)(C)c1cc(ccc1OC(=O)CCc2ccccc2)OC(=O)CCc3ccccc3

InChi [?]:

InChI=1/C28H30O4/c1-28(2,3)24-20-23(31-26(29)18-14-21-10-6-4-7-11-21)16-17-25(24)32-27(30)19-15-22-12-8-5-9-13-22/h4-13,16-17,20H,14-15,18-19H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,4,30,19,29,31,18,20,28,32,17,21,26,15,8,9,25,14,6,27,16,7,5,10,23,12,2,24,13,22,11/E:(1,2,3)(6,7)(8,9)(10,11)(12,13)/rA:32nCCCCCCCCCCOCOCCCCCCCCOCOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s7;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₀O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	14.9972
Area:	708.771
Solvation:	-2.72203
Coulombic:	-40.4681

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	430.535
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	6.59
LogP (Chemaxon):	7.16

Name Annotations

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

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