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3-Hydroxy-2-decanone

CAT: 0013-GTR19279237-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279237-01Size:10 mg
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Description
3-Hydroxy-2-decanone is a minor component of the sex pheromone of the Xylotrechus quadripes beetle. This compound shows potential for use in pest and disease research.
CAS Number
68113-61-1
Smiles
O=C (C) C (O) CCCCCCC
Molecular Formula
C10H20O2
Molecular Weight
172.27
Notes
For research use only.

Chemical Information

3-Hydroxydecan-2-one

3-Hydroxydecan-2-one is an aliphatic alcohol.

CAS Number68113-61-1
PubChem CID12524096
IUPAC Name3-hydroxydecan-2-one
Molecular FormulaC10H20O2
Molecular Weight172.26
XLogP2.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity121
SMILES
CCCCCCCC(C(=O)C)O
InChI
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-10(12)9(2)11/h10,12H,3-8H2,1-2H3
InChIKey
WQMUDPTXGSGWFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxydecan-2-one
CAS: 68113-61-1
CID: 12524096
Formula: C10H20O2
MW: 172.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.26
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass172.146329876
Monoisotopic Mass172.146329876
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity121
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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