Structure Database (LMSD)

Common Name
Limonene-1,2-epoxide
Systematic Name
Synonyms
LM ID
LMPR0102090015
Formula
C10H16O
Exact Mass
Calculate m/z
152.120115
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)
CCEFMUBVSUDRLG-XNWIYYODSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m1/s1
SMILES (Click to copy)
C12(C)CC[C@@H](C(C)=C)CC1O2

Other Databases

KEGG ID
C07271
CHEBI ID
35672
PubChem CID
441245

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 162.99
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.09
Molar Refractivity 46.46

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Created at
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Updated at
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