Structure Database (LMSD)

Common Name
(+)-sabinene
Systematic Name
(1R,5R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane (1R,5R)-thuj-4(10)-ene
Synonyms
  • (1R,5R)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane
LM ID
LMPR0102120036
Formula
C10H16
Exact Mass
Calculate m/z
136.1252
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)
NDVASEGYNIMXJL-NXEZZACHSA-N
InChi (Click to copy)
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1
SMILES (Click to copy)
C1CC([C@@]2([H])C[C@@]12C(C)C)=C

References

Other Databases

Wikipedia
sabinene
CHEBI ID
50029
PubChem CID
10887971

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 154.20
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.00
Molar Refractivity 43.75

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Updated at
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