Chemical ID: 6693756

CC(C)CCCCCCCCCCC(=O)OC
Chemical ID:
6693756
Name [?]:
methyl 12-methyltridecanoate
SMILES [?]:
CC(C)CCCCCCCCCCC(=O)OC
InChi [?]:
InChI=1/C15H30O2/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17-3/h14H,4-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,17,8,9,7,10,6,11,5,12,4,13,2,14,15,16/E:(1,2)/rA:17nCCCCCCCCCCCCCCOOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H30O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:11.5387
Area:525.607
Solvation:-1.60145
Coulombic:-21.1018
Bond Count [?]
All:16
Single:15
Double:1
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:242.398
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.43
LogP (Chemaxon):4.79

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue