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20482-11-5 | 5-Hepten-3-one, 2-[(2S,5R)-5-ethenyltetrahydro-5-methyl-2-furanyl]-6-methyl-, (2S)-
CAS No: 20482-11-5 Catalog No: AG0029PD MDL No:
Product Description
Catalog Number:
AG0029PD
Chemical Name:
5-Hepten-3-one, 2-[(2S,5R)-5-ethenyltetrahydro-5-methyl-2-furanyl]-6-methyl-, (2S)-
CAS Number:
20482-11-5
Molecular Formula:
C15H24O2
Molecular Weight:
236.3499
IUPAC Name:
(2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one
InChI:
InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3/t12-,14+,15+/m1/s1
InChI Key:
FJKKZNIYYVEYOL-SNPRPXQTSA-N
SMILES:
C=C[C@@]1(C)CC[C@H](O1)[C@@H](C(=O)CC=C(C)C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
236.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.355g/mol
Monoisotopic Mass:
236.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| A concise, biomimetic total synthesis of (+)-davanone. | Organic letters 20090521 |
| Essential oil composition of Artemisia herba-alba from southern Tunisia. | Molecules (Basel, Switzerland) 20090420 |
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