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Chemical ID: 5327557

Chemical ID:

5327557

Name [?]:

4-(3-hydroxy-2,2-dimethyl-propyl)-2,6-ditert-butyl-phenol

SMILES [?]:

CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CC(C)(C)CO

InChi [?]:

InChI=1/C19H32O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,20-21H,11-12H2,1-8H3

InChi Info:

AuxInfo=1/0/N:1,3,4,13,14,15,18,19,6,8,16,20,7,5,9,10,2,12,17,21,11/E:(1,2,3,4,5,6)(7,8)(9,10)(14,15)(17,18)/rA:21nCCCCCCCCCCOCCCCCCCCCO/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s9;s12;s12;s12;s7;s16;s17;s17;s17;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₃₂O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.81231
Area:	488.754
Solvation:	-2.40655
Coulombic:	-35.9747

Bond Count [?]

All:	21
Single:	18
Double:	3
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	292.456
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	5.22
LogP (Chemaxon):	6.04

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