Chemical ID: 4950851

CCCCC(C(c1ccc(cc1)C(C)(C)C)O)N(CC)CC
Chemical ID:
4950851
Name [?]:
2-diethylamino-1-(4-tert-butylphenyl)-hexan-1-ol
SMILES [?]:
CCCCC(C(c1ccc(cc1)C(C)(C)C)O)N(CC)CC
InChi [?]:
InChI=1/C20H35NO/c1-7-10-11-18(21(8-2)9-3)19(22)16-12-14-17(15-13-16)20(4,5)6/h12-15,18-19,22H,7-11H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,20,22,14,15,16,2,19,21,3,4,8,12,9,11,7,10,5,6,13,18,17/E:(2,3)(4,5,6)(8,9)(12,13)(14,15)/rA:22cCCCCCCCCCCCCCCCCONCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s13;s13;s6;s5;s18;s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H35NO
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:11.1826
Area:527.047
Solvation:-1.99358
Coulombic:-26.1442
Bond Count [?]
All:22
Single:19
Double:3
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:305.498
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.79
LogP (Chemaxon):5.55

Name Annotations

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Descriptor Annotations

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