bis(prop-2-enyl)phosphinic acid;hydrochloride

C6H12ClO2P — CID 88719612

IUPACbis(prop-2-enyl)phosphinic acid;hydrochloride
SMILESC=CCP(=O)(O)CC=C.Cl
InChIInChI=1S/C6H11O2P.ClH/c1-3-5-9(7,8)6-4-2;/h3-4H,1-2,5-6H2,(H,7,8);1H
InChIKeyGSLUHGJHRCLPEE-UHFFFAOYSA-N
MW182.59 g/mol
LogP2.05
Rot. Bonds4

About bis(prop-2-enyl)phosphinic acid;hydrochloride

bis(prop-2-enyl)phosphinic acid;hydrochloride (PubChem CID 88719612) has the molecular formula C6H12ClO2P and a molecular weight of 182.59 g/mol. Its IUPAC name is bis(prop-2-enyl)phosphinic acid;hydrochloride.

Molecular Properties

Compound Namebis(prop-2-enyl)phosphinic acid;hydrochloride
PubChem CID88719612
Molecular FormulaC6H12ClO2P
Molecular Weight182.59 g/mol
Exact Mass182.03
IUPAC Namebis(prop-2-enyl)phosphinic acid;hydrochloride
SMILESC=CCP(=O)(O)CC=C.Cl
InChIInChI=1S/C6H11O2P.ClH/c1-3-5-9(7,8)6-4-2;/h3-4H,1-2,5-6H2,(H,7,8);1H
InChIKeyGSLUHGJHRCLPEE-UHFFFAOYSA-N
XLogP2.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.59
LogP ≤ 52.05
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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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl)phosphinic acid;hydrochloride?
The IUPAC name of bis(prop-2-enyl)phosphinic acid;hydrochloride (CID 88719612) is bis(prop-2-enyl)phosphinic acid;hydrochloride.
What is the SMILES notation for bis(prop-2-enyl)phosphinic acid;hydrochloride?
The canonical SMILES for bis(prop-2-enyl)phosphinic acid;hydrochloride is C=CCP(=O)(O)CC=C.Cl.
What is the InChIKey of bis(prop-2-enyl)phosphinic acid;hydrochloride?
The InChIKey is GSLUHGJHRCLPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2P.ClH/c1-3-5-9(7,8)6-4-2;/h3-4H,1-2,5-6H2,(H,7,8);1H.
What are the key properties of bis(prop-2-enyl)phosphinic acid;hydrochloride?
bis(prop-2-enyl)phosphinic acid;hydrochloride has a molecular weight of 182.59 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl)phosphinic acid;hydrochloride is sourced from PubChem (CID 88719612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).