Structure Database (LMSD)

Common Name
1,3-Himachaladiene
Systematic Name
Synonyms
LM ID
LMPR0103480004
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
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]
Lippifoliane and himachalane sesquiterpenoids [PR010348]

String Representations

InChiKey (Click to copy)
JMGZKUMTFGHNRS-UEWDXFNNSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h7,10,12-13H,5-6,8-9H2,1-4H3/t12-,13?/m0/s1
SMILES (Click to copy)
C12CC=C(C)C=C1C(C)(C)CCC[C@@H]2C

Other Databases

PubChem CID
42608166

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 238.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.73
Molar Refractivity 66.74

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Created at
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Updated at
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