Structure Database (LMSD)

Common Name
1-decanol
Systematic Name
1-decanol
Synonyms
LM ID
LMFA05000062
Status
Active
Exact Mass
Calculate m/z
158.167065
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
MWKFXSUHUHTGQN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
SMILES (Click to copy)
C(CCCCO)CCCCC

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
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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