Chemical ID: 5020251

CCC(C)(C)c1cc(cc(c1O)C)C
Chemical ID:
5020251
Name [?]:
2-(1,1-dimethylpropyl)-4,6-dimethyl-phenol
SMILES [?]:
CCC(C)(C)c1cc(cc(c1O)C)C
InChi [?]:
InChI=1/C13H20O/c1-6-13(4,5)11-8-9(2)7-10(3)12(11)14/h7-8,14H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,14,13,4,5,2,9,7,8,10,6,11,3,12/E:(4,5)/rA:14nCCCCCCCCCCCOCC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s11;s10;s8;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.0809
Area:370.745
Solvation:-1.18772
Coulombic:-18.4312
Bond Count [?]
All:14
Single:11
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:192.297
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.45
LogP (Chemaxon):4.72

Name Annotations

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Descriptor Annotations

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