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2-Pentadecanone

CAT: 0013-GTR19216239-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216239-02Size:5 mg
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Description
2-Pentadecanone is a marine derived natural products found in Caulocystis cephalornithos.
CAS Number
2345-28-0
Product Name Alternative
Pentadecan-2-one | Pentadecanone
Purity
>98% (HPLC)
Smiles
O=C (C) CCCCCCCCCCCCC
Molecular Formula
C15H30O
Molecular Weight
226.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-Pentadecanone

2-Pentadecanone is a ketone.

CAS Number2345-28-0
PubChem CID61303
IUPAC Namepentadecan-2-one
Molecular FormulaC15H30O
Molecular Weight226.40
XLogP6.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count12
Heavy Atom Count16
Formal Charge0
Complexity152
SMILES
CCCCCCCCCCCCCC(=O)C
InChI
InChI=1S/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3
InChIKey
CJPNOLIZCWDHJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Pentadecanone
CAS: 2345-28-0
CID: 61303
Formula: C15H30O
MW: 226.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.40
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count12
Exact Mass226.229665576
Monoisotopic Mass226.229665576
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity152
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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