Chemical ID: 6680992

CCCCCCC(=O)OC
Chemical ID:
6680992
Name [?]:
methyl heptanoate
SMILES [?]:
CCCCCCC(=O)OC
InChi [?]:
InChI=1/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,2,3,4,5,6,7,8,9/rA:10nCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H16O2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:7.07199
Area:345.027
Solvation:-1.55369
Coulombic:-19.0466
Bond Count [?]
All:9
Single:8
Double:1
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:144.211
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.77
LogP (Chemaxon):2.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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