bis(but-3-enyl)phosphinic acid

C8H15O2P — CID 10487444

IUPACbis(but-3-enyl)phosphinic acid
SMILESC=CCCP(=O)(O)CCC=C
InChIInChI=1S/C8H15O2P/c1-3-5-7-11(9,10)8-6-4-2/h3-4H,1-2,5-8H2,(H,9,10)
InChIKeyRCEFJSSKXCWBPZ-UHFFFAOYSA-N
MW174.18 g/mol
LogP2.41
Rot. Bonds6

About bis(but-3-enyl)phosphinic acid

bis(but-3-enyl)phosphinic acid (PubChem CID 10487444) has the molecular formula C8H15O2P and a molecular weight of 174.18 g/mol. Its IUPAC name is bis(but-3-enyl)phosphinic acid.

Molecular Properties

Compound Namebis(but-3-enyl)phosphinic acid
PubChem CID10487444
Molecular FormulaC8H15O2P
Molecular Weight174.18 g/mol
Exact Mass174.08
IUPAC Namebis(but-3-enyl)phosphinic acid
SMILESC=CCCP(=O)(O)CCC=C
InChIInChI=1S/C8H15O2P/c1-3-5-7-11(9,10)8-6-4-2/h3-4H,1-2,5-8H2,(H,9,10)
InChIKeyRCEFJSSKXCWBPZ-UHFFFAOYSA-N
XLogP2.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[but-3-enyl(methyl)phosphoryl]but-1-ene
CID 135074007
but-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid
CID 159912714
bis(prop-2-enyl)phosphinic acid;hydrochloride
CID 88719612
hexadec-1-ene;phosphoric acid
CID 172734744
formic acid;hexa-1,5-diene
CID 174904293
ethoxy(hept-6-enyl)phosphinic acid
CID 57098735
but-3-enoxy(butyl)phosphinic acid
CID 87154754
hex-5-ene-1,1-diamine;methylphosphonic acid
CID 21397790
fluorophosphonic acid;prop-2-en-1-amine
CID 173413969
acetylene;prop-2-enylphosphonic acid
CID 175361195
penta-1,4-dien-2-ylphosphonic acid
CID 23116776
methane;prop-2-enyl dihydrogen phosphate
CID 87755414

Frequently Asked Questions

What is the IUPAC name of bis(but-3-enyl)phosphinic acid?
The IUPAC name of bis(but-3-enyl)phosphinic acid (CID 10487444) is bis(but-3-enyl)phosphinic acid.
What is the SMILES notation for bis(but-3-enyl)phosphinic acid?
The canonical SMILES for bis(but-3-enyl)phosphinic acid is C=CCCP(=O)(O)CCC=C.
What is the InChIKey of bis(but-3-enyl)phosphinic acid?
The InChIKey is RCEFJSSKXCWBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O2P/c1-3-5-7-11(9,10)8-6-4-2/h3-4H,1-2,5-8H2,(H,9,10).
What are the key properties of bis(but-3-enyl)phosphinic acid?
bis(but-3-enyl)phosphinic acid has a molecular weight of 174.18 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(but-3-enyl)phosphinic acid is sourced from PubChem (CID 10487444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).