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Chemical ID: 4344139
Chemical ID:
4344139
Name [?]:
6-(dibutylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILES [?]:
CCCCN(CCCC)C(=O)C1CC=CCC1C(=O)O
InChi [?]:
InChI=1/C16H27NO3/c1-3-5-11-17(12-6-4-2)15(18)13-9-7-8-10-14(13)16(19)20/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,9,2,8,3,7,14,15,13,16,4,6,12,17,10,18,5,11,19,20/E:(1,2)(3,4)(5,6)(11,12)(19,20)/rA:20cCCCCNCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;s13;d14;s15;s12s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H27NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.58517 |
Area: | 489.271 |
Solvation: | -2.6466 |
Coulombic: | -43.6715 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 281.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.79 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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