Structure Database (LMSD)

Common Name
3S,7S-Dimethylpentadecan-2S-ol
Systematic Name
3S,7S-Dimethylpentadecan-2S-ol
Synonyms
  • (2S,3S,7S)-3,7-Dimethylpentadecan-2-ol
LM ID
LMFA05000525
Formula
Exact Mass
Calculate m/z
256.276616
Sum Composition
Status
Active

Classification

Category
Main Class
Sub Class

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Neodiprion sertifer (#441937)
Insecta (#50557)
Purification, stereoisomeric analysis and quantification of sex pheromone precursors in female whole body extracts from pine sawfly species.,
J Chem Ecol, 2011
Pubmed ID: 21110221

String Representations

InChiKey (Click to copy)
VCMNTYQFWXTWTL-ULQDDVLXSA-N
InChi (Click to copy)
InChI=1S/C17H36O/c1-5-6-7-8-9-10-12-15(2)13-11-14-16(3)17(4)18/h15-18H,5-14H2,1-4H3/t15-,16-,17-/m0/s1
SMILES (Click to copy)
C[C@H](O)[C@@H](C)CCC[C@@H](C)CCCCCCCC

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 311.45
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.85
Molar Refractivity 82.36

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Created at
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Updated at
29th Dec 2024