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Chemical ID: 5248943

Chemical ID:

5248943

Name [?]:

(2-cyclohexylcyclohexyl) 2-(2-chlorophenoxy)acetate

SMILES [?]:

c1ccc(c(c1)OCC(=O)OC2CCCCC2C3CCCCC3)Cl

InChi [?]:

InChI=1/C20H27ClO3/c21-17-11-5-7-13-19(17)23-14-20(22)24-18-12-6-4-10-16(18)15-8-2-1-3-9-15/h5,7,11,13,15-16,18H,1-4,6,8-10,12,14H2

InChi Info:

AuxInfo=1/0/N:21,20,22,15,2,14,1,19,23,16,3,13,6,8,18,17,4,12,5,9,24,10,7,11/E:(2,3)(8,9)/rA:24cCCCCCCOCCOOCCCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s17;s18;s19;s20;s21;s18s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₇ClO₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	2

ZAP Information [?]

Total:	10.7614
Area:	557.057
Solvation:	-3.16503
Coulombic:	-30.2341

Bond Count [?]

All:	26
Single:	22
Double:	4
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	350.879
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	6.83
LogP (Chemaxon):	5.28

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value