dihydroxy(oxo)phosphanium;bis(prop-1-ene)

C6H14O3P+ — CID 87707073

IUPACdihydroxy(oxo)phosphanium;bis(prop-1-ene)
SMILESC=CC.C=CC.O=[P+](O)O
InChIInChI=1S/2C3H6.HO3P/c2*1-3-2;1-4(2)3/h2*3H,1H2,2H3;(H-,1,2,3)/p+1
InChIKeyPJLRZSKJEPLVKB-UHFFFAOYSA-O
MW165.15 g/mol
LogP2.01
Rot. Bonds

About dihydroxy(oxo)phosphanium;bis(prop-1-ene)

dihydroxy(oxo)phosphanium;bis(prop-1-ene) (PubChem CID 87707073) has the molecular formula C6H14O3P+ and a molecular weight of 165.15 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;bis(prop-1-ene).

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;bis(prop-1-ene)
PubChem CID87707073
Molecular FormulaC6H14O3P+
Molecular Weight165.15 g/mol
Exact Mass165.07
IUPAC Namedihydroxy(oxo)phosphanium;bis(prop-1-ene)
SMILESC=CC.C=CC.O=[P+](O)O
InChIInChI=1S/2C3H6.HO3P/c2*1-3-2;1-4(2)3/h2*3H,1H2,2H3;(H-,1,2,3)/p+1
InChIKeyPJLRZSKJEPLVKB-UHFFFAOYSA-O
XLogP2.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 52.01
H-Bond Donors ≤ 52
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

bis(dihydroxy(oxo)phosphanium);ethenol
CID 87088723
bis(dihydroxy(oxo)phosphanium);ethene
CID 157056745
prop-1-ene
CID 162178440
N,N-bis(ethenyl)ethenamine;dihydroxy(oxo)phosphanium
CID 87568858
oxovanadium;prop-1-ene
CID 174910979
acetaldehyde;prop-1-ene
CID 157049777
oxophosphane;prop-1-ene
CID 21452107
carbonic acid;prop-1-ene;trihydrofluoride
CID 174985064
phosphoric acid;prop-1-ene
CID 175586036
carbonic acid;phosphane;prop-1-ene
CID 174648548
dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide
CID 19070332
cadmium(2+);dihydroxy(oxo)phosphanium
CID 22506351

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;bis(prop-1-ene)?
The IUPAC name of dihydroxy(oxo)phosphanium;bis(prop-1-ene) (CID 87707073) is dihydroxy(oxo)phosphanium;bis(prop-1-ene).
What is the SMILES notation for dihydroxy(oxo)phosphanium;bis(prop-1-ene)?
The canonical SMILES for dihydroxy(oxo)phosphanium;bis(prop-1-ene) is C=CC.C=CC.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;bis(prop-1-ene)?
The InChIKey is PJLRZSKJEPLVKB-UHFFFAOYSA-O. The full InChI is InChI=1S/2C3H6.HO3P/c2*1-3-2;1-4(2)3/h2*3H,1H2,2H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;bis(prop-1-ene)?
dihydroxy(oxo)phosphanium;bis(prop-1-ene) has a molecular weight of 165.15 g/mol, XLogP of 2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;bis(prop-1-ene) is sourced from PubChem (CID 87707073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).