Chemical ID: 5253553

CC(CCC=O)C=O
Chemical ID:
5253553
Name [?]:
4-methylpentanedial
SMILES [?]:
CC(CCC=O)C=O
InChi [?]:
InChI=1/C6H10O2/c1-6(5-8)3-2-4-7/h4-6H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,7,2,6,8/rA:8cCCCCCOCO/rB:s1;s2;s3;s4;d5;s2;d7;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C6H10O2
All Atoms:8
Heavy Atoms:8
Chiral Atoms:1
ZAP Information [?]
Total:3.64234
Area:287.291
Solvation:-3.53992
Coulombic:-12.166
Bond Count [?]
All:7
Single:5
Double:2
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:114.142
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.77
LogP (Chemaxon):-0.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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