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Decan-2-one

CAT: 0013-GTR19255172-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255172-01Size:50 mg
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Description
Decan-2-one is a fatty ketone widely used in biochemical experiments and drug synthesis research.
CAS Number
693-54-9
Product Name Alternative
Methyl n-Octyl Ketone
Purity
97.12% (May vary between batches)
Smiles
O=C (C) CCCCCCCC
Molecular Formula
C10H20O
Molecular Weight
156.27
Storage Conditions
Pure form: -20°C for 3 years | In solvent: -80°C for 1 year
Notes
For research use only.

Chemical Information

2-Decanone

Decan-2-one is a methyl ketone that is decane in which the methylene hydrogens at position 2 are replaced by an oxo group. It has a role as a plant metabolite. It derives from a hydride of a decane.

CAS Number693-54-9
PubChem CID12741
IUPAC Namedecan-2-one
Molecular FormulaC10H20O
Molecular Weight156.26
XLogP3.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Heavy Atom Count11
Formal Charge0
Complexity97
SMILES
CCCCCCCCC(=O)C
InChI
InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3
InChIKey
ZAJNGDIORYACQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Decanone
CAS: 693-54-9
CID: 12741
Formula: C10H20O
MW: 156.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.26
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Exact Mass156.151415257
Monoisotopic Mass156.151415257
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity97
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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