ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7698562

Chemical ID:

7698562

Name [?]:

None

SMILES [?]:

CC1CC(CC(C1)OC(=O)c2cccc(c2)OC)C

InChi [?]:

InChI=1/C16H22O3/c1-11-7-12(2)9-15(8-11)19-16(17)13-5-4-6-14(10-13)18-3/h4-6,10-12,15H,7-9H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,19,18,13,12,14,3,7,5,16,2,4,11,15,6,9,10,17,8/E:(1,2)(8,9)(11,12)/rA:19cCCCCCCCOCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₂O₃
All Atoms:	41
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	9.23332
Area:	471.483
Solvation:	-2.55376
Coulombic:	-29.3487

Bond Count [?]

All:	20
Single:	16
Double:	4
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.72
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