Structure Database (LMSD)

Common Name
3S,7,11-Trimethyl-6,10-dodecadienoic acid
Systematic Name
3S,7,11-Trimethyl-6,10-dodecadienoic acid
Synonyms
LM ID
LMFA01030790
Status
Active
Exact Mass
Calculate m/z
238.19328
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
HDAQPCUHLCPEHS-SSUFTNFISA-N
InChi (Click to copy)
InChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,14H,5-6,8,10-11H2,1-4H3,(H,16,17)/b13-9+/t14-/m0/s1
SMILES (Click to copy)
C(C[C@@H](C)CC/C=C(\C)/CC/C=C(\C)/C)(=O)O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 277.72
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.57
Molar Refractivity 73.07

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Created at
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Updated at
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