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
3D model of 7R,8S-methylenehexanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
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
Admin
Created at
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Updated at
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