tert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate

C182H224O26 — CID 159364951

IUPACtert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate
SMILESC=C(C)c1ccc(O)cc1.C=C(C)c1ccc(OC(=O)OC(C)(C)C)cc1.C=C(C)c1ccc(OC(C)=O)cc1.C=Cc1ccc(O)cc1.C=Cc1ccc(OC(=O)OC(C)(C)C)cc1.C=Cc1ccc(OC(C)(C)C)cc1.C=Cc1ccc(OC(C)=O)cc1.C=Cc1ccc(OC(C)OC23CC4CC(CC(C4)C2)C3)cc1.C=Cc1ccc(OC(C)OCC)cc1.C=Cc1ccc(OC2CCCCO2)cc1.C=Cc1ccc(OCC(=O)OC2(C)C3CC4CC(C3)CC2C4)cc1.C=Cc1ccc(OCOC2C3CC4CC(C3)CC2C4)cc1.C=Cc1ccc(OCOCC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C21H26O3.2C20H26O2.C19H24O2.C14H18O3.C13H16O3.C13H16O2.C12H16O2.C12H16O.C11H12O2.C10H10O2.C9H10O.C8H8O/c1-3-14-4-6-19(7-5-14)23-13-20(22)24-21(2)17-9-15-8-16(11-17)12-18(21)10-15;1-3-15-4-6-19(7-5-15)21-14(2)22-20-11-16-8-17(12-20)10-18(9-16)13-20;1-2-14-3-5-19(6-4-14)22-13-21-12-20-17-8-15-7-16(10-17)11-18(20)9-15;1-2-13-3-5-18(6-4-13)20-12-21-19-16-8-14-7-15(10-16)11-17(19)9-14;1-10(2)11-6-8-12(9-7-11)16-13(15)17-14(3,4)5;1-5-10-6-8-11(9-7-10)15-12(14)16-13(2,3)4;1-2-11-6-8-12(9-7-11)15-13-5-3-4-10-14-13;1-4-11-6-8-12(9-7-11)14-10(3)13-5-2;1-5-10-6-8-11(9-7-10)13-12(2,3)4;1-8(2)10-4-6-11(7-5-10)13-9(3)12;1-3-9-4-6-10(7-5-9)12-8(2)11;1-7(2)8-3-5-9(10)6-4-8;1-2-7-3-5-8(9)6-4-7/h3-7,15-18H,1,8-13H2,2H3;3-7,14,16-18H,1,8-13H2,2H3;2-6,15-18,20H,1,7-13H2;2-6,14-17,19H,1,7-12H2;6-9H,1H2,2-5H3;5-9H,1H2,2-4H3;2,6-9,13H,1,3-5,10H2;4,6-10H,1,5H2,2-3H3;5-9H,1H2,2-4H3;4-7H,1H2,2-3H3;3-7H,1H2,2H3;3-6,10H,1H2,2H3;2-6,9H,1H2
InChIKeyLIZWPGGPBRTQRP-UHFFFAOYSA-N
MW2827.77 g/mol
LogP45.64
Rot. Bonds41

About tert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate

tert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate (PubChem CID 159364951) has the molecular formula C182H224O26 and a molecular weight of 2827.77 g/mol. Its IUPAC name is tert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate.

Molecular Properties

Compound Nametert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate
PubChem CID159364951
Molecular FormulaC182H224O26
Molecular Weight2827.77 g/mol
Exact Mass2825.62
IUPAC Nametert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate
SMILESC=C(C)c1ccc(O)cc1.C=C(C)c1ccc(OC(=O)OC(C)(C)C)cc1.C=C(C)c1ccc(OC(C)=O)cc1.C=Cc1ccc(O)cc1.C=Cc1ccc(OC(=O)OC(C)(C)C)cc1.C=Cc1ccc(OC(C)(C)C)cc1.C=Cc1ccc(OC(C)=O)cc1.C=Cc1ccc(OC(C)OC23CC4CC(CC(C4)C2)C3)cc1.C=Cc1ccc(OC(C)OCC)cc1.C=Cc1ccc(OC2CCCCO2)cc1.C=Cc1ccc(OCC(=O)OC2(C)C3CC4CC(C3)CC2C4)cc1.C=Cc1ccc(OCOC2C3CC4CC(C3)CC2C4)cc1.C=Cc1ccc(OCOCC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C21H26O3.2C20H26O2.C19H24O2.C14H18O3.C13H16O3.C13H16O2.C12H16O2.C12H16O.C11H12O2.C10H10O2.C9H10O.C8H8O/c1-3-14-4-6-19(7-5-14)23-13-20(22)24-21(2)17-9-15-8-16(11-17)12-18(21)10-15;1-3-15-4-6-19(7-5-15)21-14(2)22-20-11-16-8-17(12-20)10-18(9-16)13-20;1-2-14-3-5-19(6-4-14)22-13-21-12-20-17-8-15-7-16(10-17)11-18(20)9-15;1-2-13-3-5-18(6-4-13)20-12-21-19-16-8-14-7-15(10-16)11-17(19)9-14;1-10(2)11-6-8-12(9-7-11)16-13(15)17-14(3,4)5;1-5-10-6-8-11(9-7-10)15-12(14)16-13(2,3)4;1-2-11-6-8-12(9-7-11)15-13-5-3-4-10-14-13;1-4-11-6-8-12(9-7-11)14-10(3)13-5-2;1-5-10-6-8-11(9-7-10)13-12(2,3)4;1-8(2)10-4-6-11(7-5-10)13-9(3)12;1-3-9-4-6-10(7-5-9)12-8(2)11;1-7(2)8-3-5-9(10)6-4-8;1-2-7-3-5-8(9)6-4-7/h3-7,15-18H,1,8-13H2,2H3;3-7,14,16-18H,1,8-13H2,2H3;2-6,15-18,20H,1,7-13H2;2-6,14-17,19H,1,7-12H2;6-9H,1H2,2-5H3;5-9H,1H2,2-4H3;2,6-9,13H,1,3-5,10H2;4,6-10H,1,5H2,2-3H3;5-9H,1H2,2-4H3;4-7H,1H2,2-3H3;3-7H,1H2,2H3;3-6,10H,1H2,2H3;2-6,9H,1H2
InChIKeyLIZWPGGPBRTQRP-UHFFFAOYSA-N
XLogP45.64
TPSA301.18 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds41
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002827.77
LogP ≤ 545.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze tert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate?
The IUPAC name of tert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate (CID 159364951) is tert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate.
What is the SMILES notation for tert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate?
The canonical SMILES for tert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate is C=C(C)c1ccc(O)cc1.C=C(C)c1ccc(OC(=O)OC(C)(C)C)cc1.C=C(C)c1ccc(OC(C)=O)cc1.C=Cc1ccc(O)cc1.C=Cc1ccc(OC(=O)OC(C)(C)C)cc1.C=Cc1ccc(OC(C)(C)C)cc1.C=Cc1ccc(OC(C)=O)cc1.C=Cc1ccc(OC(C)OC23CC4CC(CC(C4)C2)C3)cc1.C=Cc1ccc(OC(C)OCC)cc1.C=Cc1ccc(OC2CCCCO2)cc1.C=Cc1ccc(OCC(=O)OC2(C)C3CC4CC(C3)CC2C4)cc1.C=Cc1ccc(OCOC2C3CC4CC(C3)CC2C4)cc1.C=Cc1ccc(OCOCC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of tert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate?
The InChIKey is LIZWPGGPBRTQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3.2C20H26O2.C19H24O2.C14H18O3.C13H16O3.C13H16O2.C12H16O2.C12H16O.C11H12O2.C10H10O2.C9H10O.C8H8O/c1-3-14-4-6-19(7-5-14)23-13-20(22)24-21(2)17-9-15-8-16(11-17)12-18(21)10-15;1-3-15-4-6-19(7-5-15)21-14(2)22-20-11-16-8-17(12-20)10-18(9-16)13-20;1-2-14-3-5-19(6-4-14)22-13-21-12-20-17-8-15-7-16(10-17)11-18(20)9-15;1-2-13-3-5-18(6-4-13)20-12-21-19-16-8-14-7-15(10-16)11-17(19)9-14;1-10(2)11-6-8-12(9-7-11)16-13(15)17-14(3,4)5;1-5-10-6-8-11(9-7-10)15-12(14)16-13(2,3)4;1-2-11-6-8-12(9-7-11)15-13-5-3-4-10-14-13;1-4-11-6-8-12(9-7-11)14-10(3)13-5-2;1-5-10-6-8-11(9-7-10)13-12(2,3)4;1-8(2)10-4-6-11(7-5-10)13-9(3)12;1-3-9-4-6-10(7-5-9)12-8(2)11;1-7(2)8-3-5-9(10)6-4-8;1-2-7-3-5-8(9)6-4-7/h3-7,15-18H,1,8-13H2,2H3;3-7,14,16-18H,1,8-13H2,2H3;2-6,15-18,20H,1,7-13H2;2-6,14-17,19H,1,7-12H2;6-9H,1H2,2-5H3;5-9H,1H2,2-4H3;2,6-9,13H,1,3-5,10H2;4,6-10H,1,5H2,2-3H3;5-9H,1H2,2-4H3;4-7H,1H2,2-3H3;3-7H,1H2,2H3;3-6,10H,1H2,2H3;2-6,9H,1H2.
What are the key properties of tert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate?
tert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate has a molecular weight of 2827.77 g/mol, XLogP of 45.64, 41 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate is sourced from PubChem (CID 159364951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).