Structure Database (LMSD)

Systematic Name
6,10-dimethyl-9-methylene-5E-undecen-2-one
Synonyms
  • 6,10-dimethyl-9-methylene-undec-5E-en-2-one
LM ID
LMPR0103030001
Formula
Exact Mass
Calculate m/z
208.182715
Status
Active

Classification

String Representations

InChiKey (Click to copy)
GVHYGHSXSIDTDI-KPKJPENVSA-N
InChi (Click to copy)
InChI=1S/C14H24O/c1-11(2)13(4)10-9-12(3)7-6-8-14(5)15/h7,11H,4,6,8-10H2,1-3,5H3/b12-7+
SMILES (Click to copy)
CC(=O)CC/C=C(\C)/CCC(=C)C(C)C

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 251.63
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.29
Molar Refractivity 66.88

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Created at
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Updated at
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