Chemical ID: 6690560

CCCC(C(=O)OCC)O
Chemical ID:
6690560
Name [?]:
ethyl 2-hydroxypentanoate
SMILES [?]:
CCCC(C(=O)OCC)O
InChi [?]:
InChI=1/C7H14O3/c1-3-5-6(8)7(9)10-4-2/h6,8H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,2,8,3,4,5,10,6,7/rA:10cCCCCCOOCCO/rB:s1;s2;s3;s4;d5;s5;s7;s8;s4;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H14O3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:6.05781
Area:331.148
Solvation:-2.22088
Coulombic:-37.0884
Bond Count [?]
All:9
Single:8
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:146.184
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.08
LogP (Chemaxon):1.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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