but-3-en-2-yloxy(methyl)phosphinic acid

C5H11O3P — CID 87156049

IUPACbut-3-en-2-yloxy(methyl)phosphinic acid
SMILESC=CC(C)OP(C)(=O)O
InChIInChI=1S/C5H11O3P/c1-4-5(2)8-9(3,6)7/h4-5H,1H2,2-3H3,(H,6,7)
InChIKeyTUVZWRHEFHOUSK-UHFFFAOYSA-N
MW150.11 g/mol
LogP1.39
Rot. Bonds3

About but-3-en-2-yloxy(methyl)phosphinic acid

but-3-en-2-yloxy(methyl)phosphinic acid (PubChem CID 87156049) has the molecular formula C5H11O3P and a molecular weight of 150.11 g/mol. Its IUPAC name is but-3-en-2-yloxy(methyl)phosphinic acid.

Molecular Properties

Compound Namebut-3-en-2-yloxy(methyl)phosphinic acid
PubChem CID87156049
Molecular FormulaC5H11O3P
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Namebut-3-en-2-yloxy(methyl)phosphinic acid
SMILESC=CC(C)OP(C)(=O)O
InChIInChI=1S/C5H11O3P/c1-4-5(2)8-9(3,6)7/h4-5H,1H2,2-3H3,(H,6,7)
InChIKeyTUVZWRHEFHOUSK-UHFFFAOYSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Phospholene, 1-isopropoxy-, 1-oxide
CID 3039706
Allylsarin
CID 129695105
Ethyl vinylethylphosphinate
CID 57055888
Ethyl ethylvinylphosphinate
CID 129687000
Phosphonic acid, methyl-, di-2-propenyl ester
CID 11309824
Ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
CID 87623347
Butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
CID 87624465
But-3-en-2-yl diethyl phosphate
CID 12552843
[(2R)-but-3-en-2-yl] diethyl phosphate
CID 102513715
[(2S)-but-3-en-2-yl] diethyl phosphate
CID 102513716
Propyl ethylvinylphosphinate
CID 129686978
Allyl ethylvinylphosphinate
CID 129687005

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yloxy(methyl)phosphinic acid?
The IUPAC name of but-3-en-2-yloxy(methyl)phosphinic acid (CID 87156049) is but-3-en-2-yloxy(methyl)phosphinic acid.
What is the SMILES notation for but-3-en-2-yloxy(methyl)phosphinic acid?
The canonical SMILES for but-3-en-2-yloxy(methyl)phosphinic acid is C=CC(C)OP(C)(=O)O.
What is the InChIKey of but-3-en-2-yloxy(methyl)phosphinic acid?
The InChIKey is TUVZWRHEFHOUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3P/c1-4-5(2)8-9(3,6)7/h4-5H,1H2,2-3H3,(H,6,7).
What are the key properties of but-3-en-2-yloxy(methyl)phosphinic acid?
but-3-en-2-yloxy(methyl)phosphinic acid has a molecular weight of 150.11 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yloxy(methyl)phosphinic acid is sourced from PubChem (CID 87156049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).