Structure Database (LMSD)
Common Name
2,4-dimethyl-2E-dodecenoic acid
Systematic Name
2,4-dimethyl-2E-dodecenoic acid
Synonyms
3D model of 2,4-dimethyl-2E-dodecenoic 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)
OHVNJWXMFIBONR-ACCUITESSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-12(2)11-13(3)14(15)16/h11-12H,4-10H2,1-3H3,(H,15,16)/b13-11+
SMILES (Click to copy)
C(CC)CCCCCC(C)/C=C(\C)/C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
263.06
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.40
Molar Refractivity
68.55
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Created at
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Updated at
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