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Chemical ID: 5200277
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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