Structure Database (LMSD)

O O
Common Name
beta-Terpinyl acetate
Systematic Name
Synonyms
LM ID
LMPR0102090046
Formula
C12H20O2
Exact Mass
Calculate m/z
196.14633
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Menthane monoterpenoids [PR010209]

String Representations

InChiKey (Click to copy)
URVNHQCLMBMWIW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h11H,1,5-8H2,2-4H3
SMILES (Click to copy)
C1C(CCC(C(=C)C)C1)(OC(=O)C)C

References

Other Databases

KEGG ID
C12301
CHEBI ID
32327
PubChem CID
88693

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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Updated at
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