Chemical ID: 6684225

CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C
Chemical ID:
6684225
Name [?]:
5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
SMILES [?]:
CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C
InChi [?]:
InChI=1/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,8,3,5,7,9,11,14,4,2,6,10,13,12,15/E:(1,2)/rA:16cCCCCCCCCCNCONCOC/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s9;d10;d11;s4;d13;d14;s2;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:8.85168
Area:424.974
Solvation:-1.77268
Coulombic:-24.494
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:222.284
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.82
LogP (Chemaxon):1.95

Name Annotations

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Descriptor Annotations

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