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(2R)-4-Pentyn-2-ol

CAT: 0572-TRC-P227545-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P227545-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
159407-28-0
Synonyms
(2R)-4-Pentyn-2-ol
Hazard Statement
No Data Available
Smiles
C[C@@H](O)CC#C
Molecular Formula
C5 H8 O
Molecular Weight
84.116
InChI
InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1
Additionnal Information
IUPAC name: (2R)-pent-4-yn-2-ol
Shipping Conditions
Room Temperature

Chemical Information

4-Pentyn-2-ol, (2R)-
CAS Number159407-28-0
PubChem CID7014874
IUPAC Name(2R)-pent-4-yn-2-ol
Molecular FormulaC5H8O
Molecular Weight84.12
XLogP0.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity67
SMILES
C[C@H](CC#C)O
InChI
InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1
InChIKey
JTHLRRZARWSHBE-RXMQYKEDSA-N
Chemical Structure
2D Structure
2D structure of 4-Pentyn-2-ol, (2R)-
CAS: 159407-28-0
CID: 7014874
Formula: C5H8O
MW: 84.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight84.12
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass84.057514874
Monoisotopic Mass84.057514874
Topological Polar Surface Area20.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity67.3
Isotope Atom Count0
Defined Atom Stereocenter Count1
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
sc-232948A4-Pentyn-2-ol
sc-344998(s) -4-pentyn-2-ol
433344-014-Pentyn-2-ol 4-Methylbenzenesulfonate
FP02720-014-Pentyn-1-ol
sc-2319003-Pentyn-2-ol
sc-2306202-Pentyn-1-ol
P04918-014-Pentyn-1-ol 98%
233474-014-Pentyn-1-ol 98+% (GC)
sc-227011C5-Trimethylsilyl-4-pentyn-1-ol
421839(2R) -2-[[ (1,1-Dimethylethyl) diphenylsilyl]oxy]-5- (trimethylsilyl) -4-pentyn-1-ol

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