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Chemical ID: 5074409
Chemical ID:
5074409
Name [?]:
5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)octan-1-ol
SMILES [?]:
CC(CCC(CO)C(C)CC(C)(C)C)CC(C)(C)C
InChi [?]:
InChI=1/C18H38O/c1-14(11-17(3,4)5)9-10-16(13-19)15(2)12-18(6,7)8/h14-16,19H,9-13H2,1-8H3
InChi Info:
AuxInfo=1/0/N:1,9,17,18,19,12,13,14,3,4,15,10,6,2,8,5,16,11,7/E:(3,4,5)(6,7,8)/rA:19cCCCCCCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;s8;s8;s10;s11;s11;s11;s2;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H38O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.3827 |
Area: | 505.764 |
Solvation: | -1.26142 |
Coulombic: | -21.1889 |
Bond Count [?]
All: | 18 |
Single: | 18 |
Double: | 0 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 270.494 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 6.9 |
LogP (Chemaxon): | 6.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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