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(±) -Lavandulyl Acetate

CAT: 0024-sc-488171ASize: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-488171ASize:100 mg
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CAS Number
25905-14-0

Chemical Information

Lavandulyl acetate

(+/-)-lavandulyl acetate has been reported in Alpinia galanga with data available.

CAS Number25905-14-0
PubChem CID30247
IUPAC Name(5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate
Molecular FormulaC12H20O2
Molecular Weight196.29
XLogP3.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count14
Formal Charge0
Complexity235
SMILES
CC(=CCC(COC(=O)C)C(=C)C)C
InChI
InChI=1S/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3
InChIKey
HYNGAVZPWWXQIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lavandulyl acetate
CAS: 25905-14-0
CID: 30247
Formula: C12H20O2
MW: 196.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.29
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass196.146329876
Monoisotopic Mass196.146329876
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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MBS5788958(+/-)-Lavandulyl Acetate
HY-117419AR(±) -Lavandulyl acetate (Standard)
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AR-L01283-01(R) -Lavandulyl Acetate
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