dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane

C46H51ClK2O10 — CID 162006186

IUPACdipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane
SMILESC=CCc1cc(-c2ccc(O)c(CC=C)c2)ccc1O.C=CCc1cc(-c2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.ClCC1CO1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C24H26O4.C18H18O2.C3H5ClO.CH2O3.2K.H/c1-3-5-19-11-17(7-9-23(19)27-15-21-13-25-21)18-8-10-24(20(12-18)6-4-2)28-16-22-14-26-22;1-3-5-15-11-13(7-9-17(15)19)14-8-10-18(20)16(12-14)6-4-2;4-1-3-2-5-3;2-1-4-3;;;/h3-4,7-12,21-22H,1-2,5-6,13-16H2;3-4,7-12,19-20H,1-2,5-6H2;3H,1-2H2;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyWBVIFJUQTFWKPJ-UHFFFAOYSA-M
MW877.55 g/mol
LogP1.77
Rot. Bonds18

About dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane

dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane (PubChem CID 162006186) has the molecular formula C46H51ClK2O10 and a molecular weight of 877.55 g/mol. Its IUPAC name is dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane.

Molecular Properties

Compound Namedipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane
PubChem CID162006186
Molecular FormulaC46H51ClK2O10
Molecular Weight877.55 g/mol
Exact Mass876.24
IUPAC Namedipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane
SMILESC=CCc1cc(-c2ccc(O)c(CC=C)c2)ccc1O.C=CCc1cc(-c2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.ClCC1CO1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C24H26O4.C18H18O2.C3H5ClO.CH2O3.2K.H/c1-3-5-19-11-17(7-9-23(19)27-15-21-13-25-21)18-8-10-24(20(12-18)6-4-2)28-16-22-14-26-22;1-3-5-15-11-13(7-9-17(15)19)14-8-10-18(20)16(12-14)6-4-2;4-1-3-2-5-3;2-1-4-3;;;/h3-4,7-12,21-22H,1-2,5-6,13-16H2;3-4,7-12,19-20H,1-2,5-6H2;3H,1-2H2;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyWBVIFJUQTFWKPJ-UHFFFAOYSA-M
XLogP1.77
TPSA145.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms59
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500877.55
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane?
The IUPAC name of dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane (CID 162006186) is dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane.
What is the SMILES notation for dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane?
The canonical SMILES for dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane is C=CCc1cc(-c2ccc(O)c(CC=C)c2)ccc1O.C=CCc1cc(-c2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.ClCC1CO1.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane?
The InChIKey is WBVIFJUQTFWKPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H26O4.C18H18O2.C3H5ClO.CH2O3.2K.H/c1-3-5-19-11-17(7-9-23(19)27-15-21-13-25-21)18-8-10-24(20(12-18)6-4-2)28-16-22-14-26-22;1-3-5-15-11-13(7-9-17(15)19)14-8-10-18(20)16(12-14)6-4-2;4-1-3-2-5-3;2-1-4-3;;;/h3-4,7-12,21-22H,1-2,5-6,13-16H2;3-4,7-12,19-20H,1-2,5-6H2;3H,1-2H2;1,3H;;;/q;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane?
dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane has a molecular weight of 877.55 g/mol, XLogP of 1.77, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane is sourced from PubChem (CID 162006186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).