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Gamma-Methyl-Gamma-Decanolactone

CAT: 0127-OR1030642-01Size: 5 mLDry Ice: NoHazardous: No
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CAT#:0127-OR1030642-01Size:5 mL
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CAS Number
7011-83-8
Synonyms
5-hexyl-5-methyloxolan-2-one
Purity
98%
Smiles
CCCCCCC1(CCC(=O)O1)C

Chemical Information

Dihydrojasmone lactone

5-Hexyldihydro-5-methyl-2(3H)-furanone is a gamma-lactone.

CAS Number7011-83-8
PubChem CID285097
IUPAC Name5-hexyl-5-methyloxolan-2-one
Molecular FormulaC11H20O2
Molecular Weight184.27
XLogP3.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity177
SMILES
CCCCCCC1(CCC(=O)O1)C
InChI
InChI=1S/C11H20O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h3-9H2,1-2H3
InChIKey
ALWUKGXLBSQSMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dihydrojasmone lactone
CAS: 7011-83-8
CID: 285097
Formula: C11H20O2
MW: 184.27
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight184.27
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass184.146329876
Monoisotopic Mass184.146329876
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity177
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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