Chemical ID: 5022915

COC(=O)CCCCCCCC=O
Chemical ID:
5022915
Name [?]:
methyl 9-oxononanoate
SMILES [?]:
COC(=O)CCCCCCCC=O
InChi [?]:
InChI=1/C10H18O3/c1-13-10(12)8-6-4-2-3-5-7-9-11/h9H,2-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,10,6,11,5,12,3,13,4,2/rA:13nCOCOCCCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s11;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H18O3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.03159
Area:413.907
Solvation:-3.31609
Coulombic:-24.5966
Bond Count [?]
All:12
Single:10
Double:2
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:186.248
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.45
LogP (Chemaxon):1.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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