Structure Database (LMSD)

OH
Common Name
2E,6Z-farnesol
Systematic Name
3,7,11-trimethyldodeca-2E,6Z,10-trien-1-ol
Synonyms
  • (2-trans,6-cis)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
  • (2E,6Z)-farnesol
  • (E,Z)-3,7,11-trimethyl-2,6,10-dodecatrien-1-ol
  • (E,Z)-farnesol
  • 2-trans,6-cis-farnesol
LM ID
LMPR0103010006
Formula
C15H26O
Exact Mass
Calculate m/z
222.198365
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]
C15 isoprenoids (sesquiterpenes) [PR0103]
Acyclic farnesane sesquiterpenoids [PR010301]

String Representations

InChiKey (Click to copy)
CRDAMVZIKSXKFV-GNESMGCMSA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9-,15-11+
SMILES (Click to copy)
C/C(=C\CO)/CC/C=C(/C)\CC/C=C(\C)/C

References

Other Databases

CHEBI ID
35966
PubChem CID
1549109

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 268.93
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.68
Molar Refractivity 72.99

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Created at
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Updated at
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