Chemical ID: 6679597

CCCCOc1ccc(cc1)C(C)(C)CC(C)(C)C
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

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Descriptor Annotations

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