Structure Database (LMSD)

O OH
Common Name
2,14-dimethyl-octadecanoic acid
Systematic Name
2,14-dimethyl-octadecanoic acid
Synonyms
LM ID
LMFA01020048
Formula
Exact Mass
Calculate m/z
312.30283
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
PSVBWHRVSJXHLW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H40O2/c1-4-5-15-18(2)16-13-11-9-7-6-8-10-12-14-17-19(3)20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22)
SMILES (Click to copy)
C(CCCC(C)CCCC)CCCCCCCC(C)C(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
DFA7016
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 369.50
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.82
Molar Refractivity 96.28

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Created at
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Updated at
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