Chemical ID: 6682435

CCCCCCCC(=O)OC
Chemical ID:
6682435
Name [?]:
methyl octanoate
SMILES [?]:
CCCCCCCC(=O)OC
InChi [?]:
InChI=1/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,3,4,5,6,7,8,9,10/rA:11nCCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H18O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:7.69165
Area:369.732
Solvation:-1.55166
Coulombic:-19.3499
Bond Count [?]
All:10
Single:9
Double:1
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:158.238
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.34
LogP (Chemaxon):2.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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