acetyl(butan-2-yloxy)phosphinic acid

C6H13O4P — CID 87198875

IUPACacetyl(butan-2-yloxy)phosphinic acid
SMILESCCC(C)OP(=O)(O)C(C)=O
InChIInChI=1S/C6H13O4P/c1-4-5(2)10-11(8,9)6(3)7/h5H,4H2,1-3H3,(H,8,9)
InChIKeyYUYIVJFFDODUPG-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.53
Rot. Bonds4

About acetyl(butan-2-yloxy)phosphinic acid

acetyl(butan-2-yloxy)phosphinic acid (PubChem CID 87198875) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is acetyl(butan-2-yloxy)phosphinic acid.

Molecular Properties

Compound Nameacetyl(butan-2-yloxy)phosphinic acid
PubChem CID87198875
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Nameacetyl(butan-2-yloxy)phosphinic acid
SMILESCCC(C)OP(=O)(O)C(C)=O
InChIInChI=1S/C6H13O4P/c1-4-5(2)10-11(8,9)6(3)7/h5H,4H2,1-3H3,(H,8,9)
InChIKeyYUYIVJFFDODUPG-UHFFFAOYSA-N
XLogP1.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetyl(butan-2-yloxy)phosphinic acid?
The IUPAC name of acetyl(butan-2-yloxy)phosphinic acid (CID 87198875) is acetyl(butan-2-yloxy)phosphinic acid.
What is the SMILES notation for acetyl(butan-2-yloxy)phosphinic acid?
The canonical SMILES for acetyl(butan-2-yloxy)phosphinic acid is CCC(C)OP(=O)(O)C(C)=O.
What is the InChIKey of acetyl(butan-2-yloxy)phosphinic acid?
The InChIKey is YUYIVJFFDODUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4P/c1-4-5(2)10-11(8,9)6(3)7/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of acetyl(butan-2-yloxy)phosphinic acid?
acetyl(butan-2-yloxy)phosphinic acid has a molecular weight of 180.14 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(butan-2-yloxy)phosphinic acid is sourced from PubChem (CID 87198875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).