Structure Database (LMSD)

Common Name
4,14-dimethyl-heptadecanoic acid
Systematic Name
4,14-dimethyl-heptadecanoic acid
Synonyms
LM ID
LMFA01020047
Formula
Exact Mass
Calculate m/z
298.28718
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
QZEMXPHXFNUFBC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O2/c1-4-12-17(2)13-10-8-6-5-7-9-11-14-18(3)15-16-19(20)21/h17-18H,4-16H2,1-3H3,(H,20,21)
SMILES (Click to copy)
C(CCCC(C)CCC)CCCCCC(C)CCC(=O)O

Other Databases

CHEBI ID
LIPIDBANK ID
DFA7015
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 352.20
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.43
Molar Refractivity 91.66

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Created at
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Updated at
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