Chemical ID: 6685337

CCOC(=O)CCCCCO
Chemical ID:
6685337
Name [?]:
ethyl 6-hydroxyhexanoate
SMILES [?]:
CCOC(=O)CCCCCO
InChi [?]:
InChI=1/C8H16O3/c1-2-11-8(10)6-4-3-5-7-9/h9H,2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,6,10,4,11,5,3/rA:11nCCOCOCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H16O3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.24671
Area:367.049
Solvation:-2.92952
Coulombic:-34.6845
Bond Count [?]
All:10
Single:9
Double:1
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:160.211
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.86
LogP (Chemaxon):0.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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