Structure Database (LMSD)

Common Name
7R,8S-methylenehexanoic acid
Systematic Name
7R,8S-methylenehexanoic acid
Synonyms
  • 6-[(1R,2S)-2-octylcyclopropyl]hexanoic acid
  • Cyclopropanehexanoic acid, 2-octyl-, (1R,2S)-rel-
  • 7,8-Methylenehexadecanoic acid
LM ID
LMFA01140037
Status
Active
Exact Mass
Calculate m/z
268.24023
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)
FMVHABNRCKPNEA-JKSUJKDBSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-2-3-4-5-6-8-11-15-14-16(15)12-9-7-10-13-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)/t15-,16+/m0/s1
SMILES (Click to copy)
C(O)(=O)CCCCC[C@@H]1C[C@@H]1CCCCCCCC

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 305.24
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.41
Molar Refractivity 80.31

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Created at
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Updated at
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