Chemical ID: 5174486

CCCCCC1CCC(CC1)OC(=O)NC
Chemical ID:
5174486
Name [?]:
(4-pentylcyclohexyl) methylaminoformate
SMILES [?]:
CCCCCC1CCC(CC1)OC(=O)NC
InChi [?]:
InChI=1/C13H25NO2/c1-3-4-5-6-11-7-9-12(10-8-11)16-13(15)14-2/h11-12H,3-10H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,16,2,3,4,5,7,11,8,10,6,9,13,15,14,12/E:(7,8)(9,10)/rA:16nCCCCCCCCCCCOCONC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s9;s12;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H25NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:10.0598
Area:452.178
Solvation:-1.24464
Coulombic:-35.9512
Bond Count [?]
All:16
Single:15
Double:1
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:227.343
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.49
LogP (Chemaxon):3.34

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Descriptor Annotations

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