Chemical ID: 5052714

CCCCC(COC(=O)CC)OC(=O)CC
Chemical ID:
5052714
Name [?]:
1-(propanoyloxymethyl)pentyl propanoate
SMILES [?]:
CCCCC(COC(=O)CC)OC(=O)CC
InChi [?]:
InChI=1/C12H22O4/c1-4-7-8-10(16-12(14)6-3)9-15-11(13)5-2/h10H,4-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,11,16,2,10,15,3,4,6,5,8,13,9,14,7,12/rA:16cCCCCCCOCOCCOCOCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s5;s12;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.74415
Area:459.084
Solvation:-2.73296
Coulombic:-36.9499
Bond Count [?]
All:15
Single:13
Double:2
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:230.301
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.73
LogP (Chemaxon):2.48

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Descriptor Annotations

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