butan-2-yloxy(4-hydroxybut-1-enyl)phosphinic acid

C8H17O4P — CID 173363421

IUPACbutan-2-yloxy(4-hydroxybut-1-enyl)phosphinic acid
SMILESCCC(C)OP(=O)(O)C=CCCO
InChIInChI=1S/C8H17O4P/c1-3-8(2)12-13(10,11)7-5-4-6-9/h5,7-9H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyXPAFPLOMRFRONF-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.88
Rot. Bonds6

About butan-2-yloxy(4-hydroxybut-1-enyl)phosphinic acid

butan-2-yloxy(4-hydroxybut-1-enyl)phosphinic acid (PubChem CID 173363421) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is butan-2-yloxy(4-hydroxybut-1-enyl)phosphinic acid.

Molecular Properties

Compound Namebutan-2-yloxy(4-hydroxybut-1-enyl)phosphinic acid
PubChem CID173363421
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Namebutan-2-yloxy(4-hydroxybut-1-enyl)phosphinic acid
SMILESCCC(C)OP(=O)(O)C=CCCO
InChIInChI=1S/C8H17O4P/c1-3-8(2)12-13(10,11)7-5-4-6-9/h5,7-9H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyXPAFPLOMRFRONF-UHFFFAOYSA-N
XLogP1.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.88
H-Bond Donors ≤ 52
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 butan-2-yloxy(4-hydroxybut-1-enyl)phosphinic acid?
The IUPAC name of butan-2-yloxy(4-hydroxybut-1-enyl)phosphinic acid (CID 173363421) is butan-2-yloxy(4-hydroxybut-1-enyl)phosphinic acid.
What is the SMILES notation for butan-2-yloxy(4-hydroxybut-1-enyl)phosphinic acid?
The canonical SMILES for butan-2-yloxy(4-hydroxybut-1-enyl)phosphinic acid is CCC(C)OP(=O)(O)C=CCCO.
What is the InChIKey of butan-2-yloxy(4-hydroxybut-1-enyl)phosphinic acid?
The InChIKey is XPAFPLOMRFRONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P/c1-3-8(2)12-13(10,11)7-5-4-6-9/h5,7-9H,3-4,6H2,1-2H3,(H,10,11).
What are the key properties of butan-2-yloxy(4-hydroxybut-1-enyl)phosphinic acid?
butan-2-yloxy(4-hydroxybut-1-enyl)phosphinic acid has a molecular weight of 208.19 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy(4-hydroxybut-1-enyl)phosphinic acid is sourced from PubChem (CID 173363421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).