but-3-yn-2-yloxyphosphane

C4H7OP — CID 59946085

IUPACbut-3-yn-2-yloxyphosphane
SMILESC#CC(C)OP
InChIInChI=1S/C4H7OP/c1-3-4(2)5-6/h1,4H,6H2,2H3
InChIKeyXLGNUUIOAKBIDW-UHFFFAOYSA-N
MW102.07 g/mol
LogP0.81
Rot. Bonds1

About but-3-yn-2-yloxyphosphane

but-3-yn-2-yloxyphosphane (PubChem CID 59946085) has the molecular formula C4H7OP and a molecular weight of 102.07 g/mol. Its IUPAC name is but-3-yn-2-yloxyphosphane.

Molecular Properties

Compound Namebut-3-yn-2-yloxyphosphane
PubChem CID59946085
Molecular FormulaC4H7OP
Molecular Weight102.07 g/mol
Exact Mass102.02
IUPAC Namebut-3-yn-2-yloxyphosphane
SMILESC#CC(C)OP
InChIInChI=1S/C4H7OP/c1-3-4(2)5-6/h1,4H,6H2,2H3
InChIKeyXLGNUUIOAKBIDW-UHFFFAOYSA-N
XLogP0.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.07
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

but-3-yn-2-yl methanesulfonate
CID 5461178
but-3-yn-2-yl hydrogen sulfite
CID 87459125
[(2R)-but-3-yn-2-yl] methanesulfonate
CID 11105518
but-3-yn-2-yl carbonofluoridate
CID 126746139
3-(1,1,2-trifluoropropoxy)but-1-yne
CID 173218109
methane;(2R)-pent-3-yn-2-ol;pent-3-yn-2-ol;pent-3-yn-2-yloxyphosphane
CID 159561203
4-methyl-3-propan-2-ylhex-1-yne
CID 153404672
4-methylhex-1-yn-3-ol
CID 64914374
1-but-3-yn-2-yloxy-3-methylbut-2-ene
CID 101097437
bis(but-3-yn-2-yloxy)phosphorylformic acid
CID 122635944
3-(3,3,3-trifluoropropoxy)but-1-yne
CID 54141524
4,5-dimethyl-3-propan-2-ylhex-1-yne
CID 91321412

Frequently Asked Questions

What is the IUPAC name of but-3-yn-2-yloxyphosphane?
The IUPAC name of but-3-yn-2-yloxyphosphane (CID 59946085) is but-3-yn-2-yloxyphosphane.
What is the SMILES notation for but-3-yn-2-yloxyphosphane?
The canonical SMILES for but-3-yn-2-yloxyphosphane is C#CC(C)OP.
What is the InChIKey of but-3-yn-2-yloxyphosphane?
The InChIKey is XLGNUUIOAKBIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7OP/c1-3-4(2)5-6/h1,4H,6H2,2H3.
What are the key properties of but-3-yn-2-yloxyphosphane?
but-3-yn-2-yloxyphosphane has a molecular weight of 102.07 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-yn-2-yloxyphosphane is sourced from PubChem (CID 59946085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).