Chemical ID: 5250549

CCCCCOC(=O)CCOC
Chemical ID:
5250549
Name [?]:
pentyl 3-methoxypropanoate
SMILES [?]:
CCCCCOC(=O)CCOC
InChi [?]:
InChI=1/C9H18O3/c1-3-4-5-7-12-9(10)6-8-11-2/h3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,3,4,9,5,10,7,8,11,6/rA:12nCCCCCOCOCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H18O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.20865
Area:392.207
Solvation:-2.59653
Coulombic:-26.7564
Bond Count [?]
All:11
Single:10
Double:1
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:174.237
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.8
LogP (Chemaxon):1.37

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Experimental Annotations

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Descriptor Annotations

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