Chemical ID: 3968273

CC(C)c1cccc(c1O)C(C)C
Chemical ID:
3968273
Name [?]:
2,6-diisopropylphenol
SMILES [?]:
CC(C)c1cccc(c1O)C(C)C
InChi [?]:
InChI=1/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,12,13,6,5,7,2,11,4,8,9,10/E:(1,2,3,4)(6,7)(8,9)(10,11)/rA:13nCCCCCCCCCOCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s8;s11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.77375
Area:361.467
Solvation:-1.26291
Coulombic:-18.8345
Bond Count [?]
All:13
Single:10
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:178.271
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.0
LogP (Chemaxon):4.15

Name Annotations

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Descriptor Annotations

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