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Chemical ID: 5066655

Chemical ID:

5066655

Name [?]:

diethyl cyclohexane-1,4-dicarboxylate

SMILES [?]:

CCOC(=O)C1CCC(CC1)C(=O)OCC

InChi [?]:

InChI=1/C12H20O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h9-10H,3-8H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,16,2,15,7,11,8,10,6,9,4,12,5,13,3,14/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)/rA:16nCCOCOCCCCCCCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₂₀O₄
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	8.27055
Area:	435.882
Solvation:	-2.6265
Coulombic:	-36.9252

Bond Count [?]

All:	16
Single:	14
Double:	2
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	228.285
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	1.74
LogP (Chemaxon):	1.79

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

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Chemical Mix	Source	External ID	Descriptor	Value