Structure Database (LMSD)

Common Name
alpha-Terpinyl acetate
Systematic Name
Synonyms
LM ID
LMPR0102090045
Formula
Exact Mass
Calculate m/z
196.14633
Status
Active


Classification

String Representations

InChiKey (Click to copy)
IGODOXYLBBXFDW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3
SMILES (Click to copy)
C1C(=CCC(C1)C(OC(C)=O)(C)C)C

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 216.10
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.36
Molar Refractivity 57.46

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Created at
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Updated at
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