Di-tert-butylphosphine oxide

• Catalog Number: ACM684195-1
• Product Name: Di-tert-butylphosphine oxide
• CAS: 684-19-5
• Category: Heterocyclic Organic Compound
• Synonyms: Ditert-Butyl(Oxo)Phosphanium
• IUPAC Name: ditert-butyl(oxo)phosphanium
• Molecular Weight: 162.21
• Molecular Formula: C8H19OP
• Canonical SMILES: CC(C)(C)[P+](=O)C(C)(C)C
• InChI: QQSIRURWBGEHFS-UHFFFAOYSA-N
• InChI Key: InChI=1S/C8H18OP/c1-7(2,3)10(9)8(4,5)6/h1-6H3/q+1
• Boiling Point: 112 °C(Press: 9 Torr)
• Melting Point: 74-82 °C
• Appearance: Solid
• Complexity: 120
• Covalently-Bonded Unit Count: 1
• Exact Mass: 161.11g/mol
• Formal Charge: 1
• H-Bond Acceptor: 1
• Heavy Atom Count: 10
• Isomeric SMILES: CC(C)(C)[P+](=O)C(C)(C)C
• Monoisotopic Mass: 161.11g/mol
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 17.1A^2

Custom Q&A

What is the exact mass of Di-tert-Butylphosphine oxide?

The exact mass of Di-tert-Butylphosphine oxide is 161.109527191.

What is the Canonical SMILES of Di-tert-Butylphosphine oxide?

The Canonical SMILES of Di-tert-Butylphosphine oxide is CC(C)(C)[P+](=O)C(C)(C)C

How many covalently-bonded units are in Di-tert-Butylphosphine oxide?

There is 1 covalently-bonded unit in Di-tert-Butylphosphine oxide.

Does Di-tert-Butylphosphine oxide have any defined atom stereocenter count?

No, Di-tert-Butylphosphine oxide does not have any defined atom stereocenter count.

What is the molecular weight of Di-tert-Butylphosphine oxide?

The molecular weight of Di-tert-Butylphosphine oxide is 161.20g/mol.

What is the IUPAC name of Di-tert-Butylphosphine oxide?

The IUPAC name of Di-tert-Butylphosphine oxide is ditert-butyl(oxo)phosphanium.

What is the InChIKey of Di-tert-Butylphosphine oxide?

The InChIKey of Di-tert-Butylphosphine oxide is QQSIRURWBGEHFS-UHFFFAOYSA-N.

Are there any hydrogen bond donors in Di-tert-Butylphosphine oxide?

No, there are no hydrogen bond donors in Di-tert-Butylphosphine oxide.

What is the topological polar surface area of Di-tert-Butylphosphine oxide?

The topological polar surface area of Di-tert-Butylphosphine oxide is 17.1.