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2,9-Dimethyl-5-decyne

CAT: 0024-sc-486631Size: 5 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-486631Size:5 mL
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CAS Number
19550-56-2

Chemical Information

2,9-Dimethyl-5-decyne
CAS Number19550-56-2
PubChem CID140552
IUPAC Name2,9-dimethyldec-5-yne
Molecular FormulaC12H22
Molecular Weight166.30
XLogP5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity135
SMILES
CC(C)CCC#CCCC(C)C
InChI
InChI=1S/C12H22/c1-11(2)9-7-5-6-8-10-12(3)4/h11-12H,7-10H2,1-4H3
InChIKey
RCFYJIGZQAOTFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,9-Dimethyl-5-decyne
CAS: 19550-56-2
CID: 140552
Formula: C12H22
MW: 166.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.30
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Exact Mass166.172150702
Monoisotopic Mass166.172150702
Topological Polar Surface Area0 Ų
Heavy Atom Count12
Formal Charge0
Complexity135
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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Alternative Products

CatalogName
D39265-012 9-Dimethyl-5-Decyne
OR10102122,9-Dimethyl-5-Decyne
JH1947065-DECYNE
OR10773522-Decyne
D013005-Decyne 99%
D012702-Decyne 98%
OR1010034-012,4,7,9-Tetramethyl-5-Decyne-4,7-Diol
HY-W7420302,4,7,9-Tetramethyl-5-decyne-4,7-diol-d10
OR1010035-012,4,7,9-Tetramethyl-5-Decyne-4,7-Diol Ethoxylate
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