Structure Database (LMSD)

OH
Common Name
Myrtenol
Systematic Name
Synonyms
LM ID
LMPR0102120022
Formula
C10H16O
Exact Mass
Calculate m/z
152.120115
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Bicyclic monoterpenoids [PR010212]

String Representations

InChiKey (Click to copy)
RXBQNMWIQKOSCS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3
SMILES (Click to copy)
C12C(CO)=CCC(C1)C2(C)C

References

Other Databases

KEGG ID
C11938
HMDB ID
HMDB0035100
PubChem CID
10582

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 159.19
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.26
Molar Refractivity 45.65

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Updated at
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