Chemical ID: 6659246

CCC(C)(CC)c1ccc(c(c1)C)O
Chemical ID:
6659246
Name [?]:
4-(1-ethyl-1-methyl-propyl)-2-methyl-phenol
SMILES [?]:
CCC(C)(CC)c1ccc(c(c1)C)O
InChi [?]:
InChI=1/C13H20O/c1-5-13(4,6-2)11-7-8-12(14)10(3)9-11/h7-9,14H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,6,13,4,2,5,8,9,12,11,7,10,3,14/E:(1,2)(5,6)/rA:14nCCCCCCCCCCCCCO/rB:s1;s2;s3;s3;s5;s3;s7;d8;s9;d10;d7s11;s11;s10;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.06667
Area:374.337
Solvation:-1.29176
Coulombic:-18.7823
Bond Count [?]
All:14
Single:11
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:192.297
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.8
LogP (Chemaxon):4.65

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Descriptor Annotations

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