Structure Database (LMSD)

Common Name
4-Hydroxy-4-methyltetrahydro-2H-pyran-2-one
Systematic Name
4-Hydroxy-4-methyltetrahydro-2H-pyran-2-one
Synonyms
LM ID
LMFA07040003
Status
Active
Exact Mass
Calculate m/z
130.062995
Formula
C6H10O3
Abbrev
FA 6:1;O
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
JYVXNLLUYHCIIH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3
SMILES (Click to copy)
C1C(=O)OCCC1(O)C

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
95115
PubChem CID
10428
Cayman ID
20348

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 123.73
Topological Polar Surface Area 48.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 0.65
Molar Refractivity 31.82

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Created at
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Updated at
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