Structure Database (LMSD)

Common Name
(+)-4-Isocedren-15-al
Systematic Name
Synonyms
LM ID
LMPR0103690004
Formula
C15H22O
Exact Mass
Calculate m/z
218.167065
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]
Cedrane and isocedrane sesquiterpenoids [PR010369]

String Representations

InChiKey (Click to copy)
XKFZSRUWOAGKRT-UNFRMQPBSA-N
InChi (Click to copy)
InChI=1S/C15H22O/c1-10-4-7-13-14(2,3)11-5-6-12(9-16)15(10,13)8-11/h6,9-11,13H,4-5,7-8H2,1-3H3/t10-,11?,13+,15+/m1/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@@H](C)[C@]31C(C=O)=CC[C@@H](C3)C2(C)C

Other Databases

PubChem CID
42608182

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 234.49
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.59
Molar Refractivity 64.97

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Created at
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Updated at
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