hydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium

C21H24O5P+ — CID 172717545

IUPAChydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium
SMILESC=C(C)C(=O)OC(CCCCO[P+](=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23O5P/c1-17(2)20(22)26-21(18-11-5-3-6-12-18,19-13-7-4-8-14-19)15-9-10-16-25-27(23)24/h3-8,11-14H,1,9-10,15-16H2,2H3/p+1
InChIKeyQPDMIKVCIYXTHN-UHFFFAOYSA-O
MW387.39 g/mol
LogP4.89
Rot. Bonds10

About hydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium

hydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium (PubChem CID 172717545) has the molecular formula C21H24O5P+ and a molecular weight of 387.39 g/mol. Its IUPAC name is hydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium
PubChem CID172717545
Molecular FormulaC21H24O5P+
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Namehydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium
SMILESC=C(C)C(=O)OC(CCCCO[P+](=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23O5P/c1-17(2)20(22)26-21(18-11-5-3-6-12-18,19-13-7-4-8-14-19)15-9-10-16-25-27(23)24/h3-8,11-14H,1,9-10,15-16H2,2H3/p+1
InChIKeyQPDMIKVCIYXTHN-UHFFFAOYSA-O
XLogP4.89
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

hydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium
CID 172837062
[2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate
CID 174279576
[6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium
CID 172679246
hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium
CID 23389450
acetic acid;trityl 2-methylprop-2-enoate
CID 174941434
2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate
CID 157298221
4-trityloxybutyl 2-methylprop-2-enoate
CID 141487802
[2-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]butan-2-yl] 2-methylprop-2-enoate
CID 138631455
methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium
CID 162300033
4-(2-phenylpropan-2-ylsulfanyl)butyl 2-methylprop-2-enoate
CID 66643500
ethane;isocyanic acid;trityl 2-methylprop-2-enoate
CID 174509512
(2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate
CID 175308811

Frequently Asked Questions

What is the IUPAC name of hydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium?
The IUPAC name of hydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium (CID 172717545) is hydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium.
What is the SMILES notation for hydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium?
The canonical SMILES for hydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium is C=C(C)C(=O)OC(CCCCO[P+](=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of hydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium?
The InChIKey is QPDMIKVCIYXTHN-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23O5P/c1-17(2)20(22)26-21(18-11-5-3-6-12-18,19-13-7-4-8-14-19)15-9-10-16-25-27(23)24/h3-8,11-14H,1,9-10,15-16H2,2H3/p+1.
What are the key properties of hydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium?
hydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium has a molecular weight of 387.39 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium is sourced from PubChem (CID 172717545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).