Structure Database (LMSD)

Common Name
R-sulcatol
Systematic Name
6-Methyl-5-hepten-2R-ol
Synonyms
  • (2R)-6-Methyl-5-hepten-2-ol
LM ID
LMFA05000469
Formula
C8H16O
Exact Mass
Calculate m/z
128.120115
Sum Composition
FOH 8:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Gnathotrichus sulcatus (#929056)
Insecta (#50557)
Sulcatol: population aggregation pheromone in the scolytid beetle, Gnathotrichus sulcatus.,
J Insect Physiol, 1974
Pubmed ID: 4418080

String Representations

InChiKey (Click to copy)
OHEFFKYYKJVVOX-MRVPVSSYSA-N
InChi (Click to copy)
InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3/t8-/m1/s1
SMILES (Click to copy)
C[C@@H](O)CC/C=C(\C)/C

Other Databases

CHEBI ID
195853
PubChem CID
6971128

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 153.11
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.40
Molar Refractivity 40.86

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Created at
-
Updated at
3rd Jun 2021