Structure Database (LMSD)

Common Name
Onitin
Systematic Name
Synonyms
LM ID
LMPR0103610001
Formula
C15H22O2
Exact Mass
Calculate m/z
234.16198
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Illudalane sesquiterpenoids [PR010361]

String Representations

InChiKey (Click to copy)
GCMUHPCLXBXQDH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H22O2/c1-9-11(5-6-16)10(2)14(17)13-8-15(3,4)7-12(9)13/h16-17H,5-8H2,1-4H3
SMILES (Click to copy)
C1(C)=C(O)C2CC(C)(C)CC=2C(C)=C1CCO

Other Databases

PubChem CID
42608175

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 2
Aromatic Rings 1
Rotatable Bonds 2
Van der Waals Molecular Volume 242.10
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 2.95
Molar Refractivity 70.05

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Created at
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Updated at
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