Structure Database (LMSD)

Common Name
2,6-Dimethyl-5-hepten-1-ol
Systematic Name
2,6-Dimethyl-5-hepten-1-ol
Synonyms
LM ID
LMFA05000120
Formula
Exact Mass
Calculate m/z
142.135765
Sum Composition
Status
Curated

Classification

Category
Main Class
Sub Class

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lasius neoniger (#611257)
Insecta (#50557)
BIOCHEMICAL POLYMORPHISM IN ANTS.,
Science, 1965
Pubmed ID: 14325157

String Representations

InChiKey (Click to copy)
WFZFXUZFKAOTRR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O/c1-8(2)5-4-6-9(3)7-10/h5,9-10H,4,6-7H2,1-3H3
SMILES (Click to copy)
OCC(C)CC/C=C(\C)/C

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 170.41
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.65
Molar Refractivity 45.40

Admin

Created at
-
Updated at
28th Nov 2024