Structure Database (LMSD)

Common Name
(-)-trans-Isopiperitenol
Systematic Name
Synonyms
LM ID
LMPR0102090006
Status
Active
Exact Mass
Calculate m/z
152.120115
Formula
C10H16O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

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)
OLAKPNFIICOONC-ZJUUUORDSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9-11H,1,4-5H2,2-3H3/t9-,10+/m1/s1
SMILES (Click to copy)
[C@H]1(C(=C)C)CCC(C)=C[C@@H]1O

References

Other Databases

KEGG ID
C01123
CHEBI ID
15406
PubChem CID
439410

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 172.71
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.57
Molar Refractivity 47.81

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Updated at
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