Chemical ID: 5200277

CC(CC(C(C)(C)C)O)C(C)(C)C
Chemical ID:
5200277
Name [?]:
2,2,5,6,6-pentamethylheptan-3-ol
SMILES [?]:
CC(CC(C(C)(C)C)O)C(C)(C)C
InChi [?]:
InChI=1/C12H26O/c1-9(11(2,3)4)8-10(13)12(5,6)7/h9-10,13H,8H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,11,12,13,6,7,8,3,2,4,10,5,9/E:(2,3,4)(5,6,7)/rA:13cCCCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s5;s5;s4;s2;s10;s10;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H26O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:2
ZAP Information [?]
Total:8.21407
Area:377.673
Solvation:-1.22776
Coulombic:-19.6682
Bond Count [?]
All:12
Single:12
Double:0
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:186.334
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.55
LogP (Chemaxon):4.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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