Structure Database (LMSD)

Common Name
2-Methyl-5-isopropylhexa-2Z,5-dienal
Systematic Name
2-Methyl-5-isopropylhexa-2Z,5-dienal
Synonyms
LM ID
LMPR0102020001
Formula
Exact Mass
Calculate m/z
152.120115
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
KDMDLRXLBMMBSU-UITAMQMPSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-8(2)10(4)6-5-9(3)7-11/h5,7-8H,4,6H2,1-3H3/b9-5-
SMILES (Click to copy)
C(C(=C)C(C)C)/C=C(/C)\C=O

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 182.43
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.73
Molar Refractivity 48.42

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Updated at
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