[(2S)-2-[(2-methylpropan-2-yl)oxy]but-3-ynoxy]phosphane

C8H15O2P — CID 59606721

IUPAC[(2S)-2-[(2-methylpropan-2-yl)oxy]but-3-ynoxy]phosphane
SMILESC#C[C@@H](COP)OC(C)(C)C
InChIInChI=1S/C8H15O2P/c1-5-7(6-9-11)10-8(2,3)4/h1,7H,6,11H2,2-4H3/t7-/m0/s1
InChIKeyUZHJPCWEZIJOPM-ZETCQYMHSA-N
MW174.18 g/mol
LogP1.61
Rot. Bonds3

About [(2S)-2-[(2-methylpropan-2-yl)oxy]but-3-ynoxy]phosphane

[(2S)-2-[(2-methylpropan-2-yl)oxy]but-3-ynoxy]phosphane (PubChem CID 59606721) has the molecular formula C8H15O2P and a molecular weight of 174.18 g/mol. Its IUPAC name is [(2S)-2-[(2-methylpropan-2-yl)oxy]but-3-ynoxy]phosphane.

Molecular Properties

Compound Name[(2S)-2-[(2-methylpropan-2-yl)oxy]but-3-ynoxy]phosphane
PubChem CID59606721
Molecular FormulaC8H15O2P
Molecular Weight174.18 g/mol
Exact Mass174.08
IUPAC Name[(2S)-2-[(2-methylpropan-2-yl)oxy]but-3-ynoxy]phosphane
SMILESC#C[C@@H](COP)OC(C)(C)C
InChIInChI=1S/C8H15O2P/c1-5-7(6-9-11)10-8(2,3)4/h1,7H,6,11H2,2-4H3/t7-/m0/s1
InChIKeyUZHJPCWEZIJOPM-ZETCQYMHSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2-methylpropan-2-yl)oxy]but-3-ynoxy]phosphane?
The IUPAC name of [(2S)-2-[(2-methylpropan-2-yl)oxy]but-3-ynoxy]phosphane (CID 59606721) is [(2S)-2-[(2-methylpropan-2-yl)oxy]but-3-ynoxy]phosphane.
What is the SMILES notation for [(2S)-2-[(2-methylpropan-2-yl)oxy]but-3-ynoxy]phosphane?
The canonical SMILES for [(2S)-2-[(2-methylpropan-2-yl)oxy]but-3-ynoxy]phosphane is C#C[C@@H](COP)OC(C)(C)C.
What is the InChIKey of [(2S)-2-[(2-methylpropan-2-yl)oxy]but-3-ynoxy]phosphane?
The InChIKey is UZHJPCWEZIJOPM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15O2P/c1-5-7(6-9-11)10-8(2,3)4/h1,7H,6,11H2,2-4H3/t7-/m0/s1.
What are the key properties of [(2S)-2-[(2-methylpropan-2-yl)oxy]but-3-ynoxy]phosphane?
[(2S)-2-[(2-methylpropan-2-yl)oxy]but-3-ynoxy]phosphane has a molecular weight of 174.18 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2-methylpropan-2-yl)oxy]but-3-ynoxy]phosphane is sourced from PubChem (CID 59606721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).