Structure Database (LMSD)

Common Name
(R)-Sesquilavandulol
Systematic Name
5,9-dimethyl-2R-(prop-1-en-2-yl)deca-4E,8-dien-1-ol
Synonyms
LM ID
LMPR0103030002
Formula
C15H26O
Exact Mass
Calculate m/z
222.198365
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Irregular acyclic sesquiterpenoids [PR010303]

String Representations

InChiKey (Click to copy)
JTSPVWIYQLSMER-HNRFISLBSA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-12(2)7-6-8-14(5)9-10-15(11-16)13(3)4/h7,9,15-16H,3,6,8,10-11H2,1-2,4-5H3/b14-9+/t15-/m0/s1
SMILES (Click to copy)
CC(=C)[C@@H](C/C=C(/CC/C=C(\C)/C)\C)CO

Other Databases

PubChem CID
11831047

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 4.54
Molar Refractivity 72.92

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Updated at
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