Structure Database (LMSD)

Common Name
Decan-2R-ol
Systematic Name
Decan-2R-ol
Synonyms
LM ID
LMFA05000509
Formula
C10H22O
Exact Mass
Calculate m/z
158.167065
Sum Composition
FOH 10:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
ACUZDYFTRHEKOS-SNVBAGLBSA-N
InChi (Click to copy)
InChI=1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3/t10-/m1/s1
SMILES (Click to copy)
C[C@@H](O)CCCCCCCC

Other Databases

CHEBI ID
195930
PubChem CID
2737541

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 190.35
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.40
Molar Refractivity 50.19

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Created at
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Updated at
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