Chemical ID: 5239035

CC=CCCC(=O)CC(CCO)O
Chemical ID:
5239035
Name [?]:
1,3-dihydroxydec-8-en-5-one
SMILES [?]:
CC=CCCC(=O)CC(CCO)O
InChi [?]:
InChI=1/C10H18O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-3,10-11,13H,4-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,10,11,8,6,9,12,7,13/rA:13cCCCCCCOCCCCOO/rB:s1;w2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s9;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H18O3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:5.34628
Area:397.452
Solvation:-4.59001
Coulombic:-39.8025
Bond Count [?]
All:12
Single:10
Double:2
Rotors:7
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:186.248
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.54
LogP (Chemaxon):1.24

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Experimental Annotations

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Descriptor Annotations

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