Structure Database (LMSD)

Common Name
(4R)-limonene 1alpha,2alpha-epoxide
Systematic Name
(1S,4R,6R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane
Synonyms
  • (+)-trans-limonene oxide
  • (1S,4R,6R)-4-isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptane
  • 1alpha,2alpha-epoxy-4betaH-p-menth-8-ene
  • D-LIMONENE 1,2-EPOXIDE
LM ID
LMPR0102090048
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-BBBLOLIVSA-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)
C1[C@@]2(O[C@]2([H])C[C@]([H])(C(=C)C)C1)C

Other Databases

CHEBI ID
43812
PubChem CID
449290
PDB ID
LEO

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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