dichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol

C9H15Cl2O5P — CID 175353339

IUPACdichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol
SMILESC#CCOCC(O)COCC=C.O=P(O)(Cl)Cl
InChIInChI=1S/C9H14O3.Cl2HO2P/c1-3-5-11-7-9(10)8-12-6-4-2;1-5(2,3)4/h1,4,9-10H,2,5-8H2;(H,3,4)
InChIKeyUYUBAXUOHJNDRC-UHFFFAOYSA-N
MW305.09 g/mol
LogP1.76
Rot. Bonds7

About dichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol

dichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol (PubChem CID 175353339) has the molecular formula C9H15Cl2O5P and a molecular weight of 305.09 g/mol. Its IUPAC name is dichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol.

Molecular Properties

Compound Namedichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol
PubChem CID175353339
Molecular FormulaC9H15Cl2O5P
Molecular Weight305.09 g/mol
Exact Mass304.00
IUPAC Namedichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol
SMILESC#CCOCC(O)COCC=C.O=P(O)(Cl)Cl
InChIInChI=1S/C9H14O3.Cl2HO2P/c1-3-5-11-7-9(10)8-12-6-4-2;1-5(2,3)4/h1,4,9-10H,2,5-8H2;(H,3,4)
InChIKeyUYUBAXUOHJNDRC-UHFFFAOYSA-N
XLogP1.76
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.09
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
CID 174422738
1-ethoxy-3-prop-2-enoxypropan-2-ol
CID 10953806
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
bis(2-hydroxy-3-prop-2-enoxypropyl) sulfate
CID 174573548
1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
CID 172513845
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
CID 154701098
CID 154701098
1-prop-2-enoxyhex-5-en-2-ol
CID 12963723
2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate
CID 174891666
1-pentoxy-3-prop-2-ynoxypropan-2-ol
CID 53428013
2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene
CID 87845126
2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol
CID 129166429

Frequently Asked Questions

What is the IUPAC name of dichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol?
The IUPAC name of dichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol (CID 175353339) is dichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol.
What is the SMILES notation for dichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol?
The canonical SMILES for dichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol is C#CCOCC(O)COCC=C.O=P(O)(Cl)Cl.
What is the InChIKey of dichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol?
The InChIKey is UYUBAXUOHJNDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3.Cl2HO2P/c1-3-5-11-7-9(10)8-12-6-4-2;1-5(2,3)4/h1,4,9-10H,2,5-8H2;(H,3,4).
What are the key properties of dichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol?
dichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol has a molecular weight of 305.09 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol is sourced from PubChem (CID 175353339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).