bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol

C6H12Cl6O5P2 — CID 174422738

IUPACbis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
SMILESC=CCOCC(O)CO.O=P(Cl)(Cl)Cl.O=P(Cl)(Cl)Cl
InChIInChI=1S/C6H12O3.2Cl3OP/c1-2-3-9-5-6(8)4-7;2*1-5(2,3)4/h2,6-8H,1,3-5H2;;
InChIKeyOWHVDYLDGCHWKH-UHFFFAOYSA-N
MW438.82 g/mol
LogP5.16
Rot. Bonds5

About bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol

bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol (PubChem CID 174422738) has the molecular formula C6H12Cl6O5P2 and a molecular weight of 438.82 g/mol. Its IUPAC name is bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol.

Molecular Properties

Compound Namebis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
PubChem CID174422738
Molecular FormulaC6H12Cl6O5P2
Molecular Weight438.82 g/mol
Exact Mass435.83
IUPAC Namebis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
SMILESC=CCOCC(O)CO.O=P(Cl)(Cl)Cl.O=P(Cl)(Cl)Cl
InChIInChI=1S/C6H12O3.2Cl3OP/c1-2-3-9-5-6(8)4-7;2*1-5(2,3)4/h2,6-8H,1,3-5H2;;
InChIKeyOWHVDYLDGCHWKH-UHFFFAOYSA-N
XLogP5.16
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.82
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene
CID 87845126
3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol
CID 88980935
3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol
CID 172513857
dichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol
CID 175353339
2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol
CID 6455521
3-prop-2-enoxyprop-1-ene;3-sulfanylpropane-1,2-diol
CID 174776061
2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol
CID 129166429
sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene
CID 173191525
CID 154701098
CID 154701098
sodium;benzenesulfonate;3-prop-2-enoxypropane-1,2-diol
CID 87917141

Frequently Asked Questions

What is the IUPAC name of bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol?
The IUPAC name of bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol (CID 174422738) is bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol.
What is the SMILES notation for bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol?
The canonical SMILES for bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol is C=CCOCC(O)CO.O=P(Cl)(Cl)Cl.O=P(Cl)(Cl)Cl.
What is the InChIKey of bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol?
The InChIKey is OWHVDYLDGCHWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.2Cl3OP/c1-2-3-9-5-6(8)4-7;2*1-5(2,3)4/h2,6-8H,1,3-5H2;;.
What are the key properties of bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol?
bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol has a molecular weight of 438.82 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol is sourced from PubChem (CID 174422738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).