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Chemical ID: 4143250
Chemical ID:
4143250
Name [?]:
3-cyclododecyl-1,1-dimethyl-urea
SMILES [?]:
CN(C)C(=O)NC1CCCCCCCCCCC1
InChi [?]:
InChI=1/C15H30N2O/c1-17(2)15(18)16-14-12-10-8-6-4-3-5-7-9-11-13-14/h14H,3-13H2,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,13,12,14,11,15,10,16,9,17,8,18,7,4,6,2,5/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:18nCNCCONCCCCCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s7s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H30N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16455 |
Area: | 423.174 |
Solvation: | -1.4148 |
Coulombic: | -32.5666 |
Bond Count [?]
All: | 18 |
Single: | 17 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 254.412 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.73 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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