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Chemical ID: 6679597
Chemical ID:
6679597
Name [?]:
2-(4-butoxyphenyl)-2,4,4-trimethyl-pentane
SMILES [?]:
CCCCOc1ccc(cc1)C(C)(C)CC(C)(C)C
InChi [?]:
InChI=1/C18H30O/c1-7-8-13-19-16-11-9-15(10-12-16)18(5,6)14-17(2,3)4/h9-12H,7-8,13-14H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,17,18,19,13,14,2,3,8,10,7,11,4,15,9,6,16,12,5/E:(2,3,4)(5,6)(9,10)(11,12)/rA:19nCCCCOCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s12;s12;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H30O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4555 |
Area: | 486.618 |
Solvation: | -1.70993 |
Coulombic: | -11.4787 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 262.43 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 7.36 |
LogP (Chemaxon): | 6.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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