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Lavandulyl Senecioate

CAT: 0013-GTR19193931-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193931-01Size:25 mg
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Description
Lavandulyl Senecioate
CAS Number
23960-07-8
Smiles
C (COC (C=C (C) C) =O) (CC=C (C) C) C (C) =C
Molecular Formula
C15H24O2
Molecular Weight
236.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Methyl-2-(prop-1-EN-2-YL)hex-4-EN-1-YL 3-methylbut-2-enoate

See also: Lavandulyl Senecioate (annotation moved to) ... View More ...

CAS Number23960-07-8
PubChem CID15512841
IUPAC Name(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate
Molecular FormulaC15H24O2
Molecular Weight236.35
XLogP5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count17
Formal Charge0
Complexity327
SMILES
CC(=CCC(COC(=O)C=C(C)C)C(=C)C)C
InChI
InChI=1S/C15H24O2/c1-11(2)7-8-14(13(5)6)10-17-15(16)9-12(3)4/h7,9,14H,5,8,10H2,1-4,6H3
InChIKey
STLUIDJQVVNOAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyl-2-(prop-1-EN-2-YL)hex-4-EN-1-YL 3-methylbut-2-enoate
CAS: 23960-07-8
CID: 15512841
Formula: C15H24O2
MW: 236.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.35
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass236.177630004
Monoisotopic Mass236.177630004
Topological Polar Surface Area26.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity327
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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