Chemical ID: 6668621

CC(C)(C)c1cc2c(cc1O)CCC2
Chemical ID:
6668621
Name [?]:
6-tert-butylindan-5-ol
SMILES [?]:
CC(C)(C)c1cc2c(cc1O)CCC2
InChi [?]:
InChI=1/C13H18O/c1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14/h7-8,14H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,13,14,12,6,9,7,8,5,10,2,11/E:(1,2,3)/rA:14nCCCCCCCCCCOCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s8;s12;s7s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.67316
Area:356.49
Solvation:-1.2391
Coulombic:-17.945
Bond Count [?]
All:15
Single:12
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:190.281
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.11
LogP (Chemaxon):4.22

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