bis(prop-2-enyl dihydrogen phosphite);dihydrochloride

C6H16Cl2O6P2 — CID 173452860

IUPACbis(prop-2-enyl dihydrogen phosphite);dihydrochloride
SMILESC=CCOP(O)O.C=CCOP(O)O.Cl.Cl
InChIInChI=1S/2C3H7O3P.2ClH/c2*1-2-3-6-7(4)5;;/h2*2,4-5H,1,3H2;2*1H
InChIKeySPIZIFWNSGDPRU-UHFFFAOYSA-N
MW317.04 g/mol
LogP1.64
Rot. Bonds6

About bis(prop-2-enyl dihydrogen phosphite);dihydrochloride

bis(prop-2-enyl dihydrogen phosphite);dihydrochloride (PubChem CID 173452860) has the molecular formula C6H16Cl2O6P2 and a molecular weight of 317.04 g/mol. Its IUPAC name is bis(prop-2-enyl dihydrogen phosphite);dihydrochloride.

Molecular Properties

Compound Namebis(prop-2-enyl dihydrogen phosphite);dihydrochloride
PubChem CID173452860
Molecular FormulaC6H16Cl2O6P2
Molecular Weight317.04 g/mol
Exact Mass315.98
IUPAC Namebis(prop-2-enyl dihydrogen phosphite);dihydrochloride
SMILESC=CCOP(O)O.C=CCOP(O)O.Cl.Cl
InChIInChI=1S/2C3H7O3P.2ClH/c2*1-2-3-6-7(4)5;;/h2*2,4-5H,1,3H2;2*1H
InChIKeySPIZIFWNSGDPRU-UHFFFAOYSA-N
XLogP1.64
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.04
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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ethyl dihydrogen phosphite;dihydrochloride
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azane;3-prop-2-enoxyprop-1-ene;hydrochloride
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N-prop-2-enoxypentan-3-imine
CID 174974673
CID 87625662
CID 87625662
ethenyl prop-2-enoxy hydrogen phosphite
CID 175000913
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CID 86657892
phenyl-bis(prop-2-enoxy)phosphane
CID 11790775
2-[amino(prop-2-enoxy)phosphanyl]oxypropane
CID 174633536
2-chloro-3-prop-2-enoxyprop-1-ene
CID 13215592
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl dihydrogen phosphite);dihydrochloride?
The IUPAC name of bis(prop-2-enyl dihydrogen phosphite);dihydrochloride (CID 173452860) is bis(prop-2-enyl dihydrogen phosphite);dihydrochloride.
What is the SMILES notation for bis(prop-2-enyl dihydrogen phosphite);dihydrochloride?
The canonical SMILES for bis(prop-2-enyl dihydrogen phosphite);dihydrochloride is C=CCOP(O)O.C=CCOP(O)O.Cl.Cl.
What is the InChIKey of bis(prop-2-enyl dihydrogen phosphite);dihydrochloride?
The InChIKey is SPIZIFWNSGDPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O3P.2ClH/c2*1-2-3-6-7(4)5;;/h2*2,4-5H,1,3H2;2*1H.
What are the key properties of bis(prop-2-enyl dihydrogen phosphite);dihydrochloride?
bis(prop-2-enyl dihydrogen phosphite);dihydrochloride has a molecular weight of 317.04 g/mol, XLogP of 1.64, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl dihydrogen phosphite);dihydrochloride is sourced from PubChem (CID 173452860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).