Chemical ID: 6529560

CCCCCC(=O)OC
Chemical ID:
6529560
Name [?]:
methyl hexanoate
SMILES [?]:
CCCCCC(=O)OC
InChi [?]:
InChI=1/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,2,3,4,5,6,7,8/rA:9nCCCCCCOOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H14O2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:6.3649
Area:316.448
Solvation:-1.5463
Coulombic:-18.7451
Bond Count [?]
All:8
Single:7
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:130.185
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.2
LogP (Chemaxon):1.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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