Structure Database (LMSD)
Common Name
3-Methyl-2E-heptenoic acid
Systematic Name
3-Methyl-2E-heptenoic acid
Synonyms
3D model of 3-Methyl-2E-heptenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
BBLRVFUTKVICCR-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-3-4-5-7(2)6-8(9)10/h6H,3-5H2,1-2H3,(H,9,10)/b7-6+
SMILES (Click to copy)
C(/C=C(\C)/CCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
159.26
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.21
Molar Refractivity
40.92
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Created at
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Updated at
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