Structure Database (LMSD)
Common Name
1,9Z,16-heptadecatrien-4,6-diyn-3,8-diol
Systematic Name
1,9Z,16-heptadecatrien-4,6-diyn-3,8-diol
Synonyms
- heptadeca-1,9Z,16-trien-4,6-diyn-3,8-diol
LM ID
LMFA05000029
Formula
Exact Mass
Calculate m/z
258.16198
Sum Composition
Status
Active
3D model of 1,9Z,16-heptadecatrien-4,6-diyn-3,8-diol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
OLUQMFYBNOJBQQ-UVTDQMKNSA-N
InChi (Click to copy)
InChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h3-4,10,14,16-19H,1-2,5-9H2/b14-10-
SMILES (Click to copy)
C(O)(C=C)C#CC#CC(O)/C=C\CCCCCC=C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
301.76
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
3.17
Molar Refractivity
81.21
Admin
Created at
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Updated at
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