Structure Database (LMSD)

Common Name
Limonene-1,2-diol
Systematic Name
Synonyms
LM ID
LMPR0102090016
Formula
C10H18O2
Exact Mass
Calculate m/z
170.13068
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Menthane monoterpenoids [PR010209]

String Representations

InChiKey (Click to copy)
WKZWTZTZWGWEGE-UTLUCORTSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1
SMILES (Click to copy)
[C@]1(O)(C)CC[C@@H](C(C)=C)C[C@@H]1O

Other Databases

KEGG ID
C07276
CHEBI ID
18515
PubChem CID
441246

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 184.14
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 2.05
Molar Refractivity 49.81

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Created at
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Updated at
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