Chemical ID: 4260526

CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OCCCC#N
Chemical ID:
4260526
Name [?]:
4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanenitrile
SMILES [?]:
CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OCCCC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H31NO
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.2142
Area:548.924
Solvation:-2.50892
Coulombic:-12.6169
Bond Count [?]
All:22
Single:18
Double:3
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:301.466
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.51
LogP (Chemaxon):6.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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