tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene

C33H40O6 — CID 158185481

IUPACtert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene
SMILESC=Cc1ccc(O)cc1.C=Cc1ccc(OC(=O)OC(C)(C)C)cc1.CCOCCOC=Cc1ccccc1
InChIInChI=1S/C13H16O3.C12H16O2.C8H8O/c1-5-10-6-8-11(9-7-10)15-12(14)16-13(2,3)4;1-2-13-10-11-14-9-8-12-6-4-3-5-7-12;1-2-7-3-5-8(9)6-4-7/h5-9H,1H2,2-4H3;3-9H,2,10-11H2,1H3;2-6,9H,1H2
InChIKeyFZBZIMKHHKLSEO-UHFFFAOYSA-N
MW532.68 g/mol
LogP8.39
Rot. Bonds9

About tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene

tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene (PubChem CID 158185481) has the molecular formula C33H40O6 and a molecular weight of 532.68 g/mol. Its IUPAC name is tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene.

Molecular Properties

Compound Nametert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene
PubChem CID158185481
Molecular FormulaC33H40O6
Molecular Weight532.68 g/mol
Exact Mass532.28
IUPAC Nametert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene
SMILESC=Cc1ccc(O)cc1.C=Cc1ccc(OC(=O)OC(C)(C)C)cc1.CCOCCOC=Cc1ccccc1
InChIInChI=1S/C13H16O3.C12H16O2.C8H8O/c1-5-10-6-8-11(9-7-10)15-12(14)16-13(2,3)4;1-2-13-10-11-14-9-8-12-6-4-3-5-7-12;1-2-7-3-5-8(9)6-4-7/h5-9H,1H2,2-4H3;3-9H,2,10-11H2,1H3;2-6,9H,1H2
InChIKeyFZBZIMKHHKLSEO-UHFFFAOYSA-N
XLogP8.39
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.68
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;methyl 2-methylprop-2-enoate
CID 67421785
tert-butyl (4-hydroxyphenyl) carbonate
CID 22345869
2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol
CID 70115763
tert-butyl 2-methylidene-4-phenylbut-3-enoate;4-ethenylphenol
CID 87493330
tert-butyl [4-[4-(4-hydroxyphenyl)buta-1,3-dienyl]phenyl] carbonate;tert-butyl 2-methylprop-2-enoate
CID 87583303
ethane;(4-ethenylphenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 144902381
tert-butyl 2-(4-ethenylphenoxy)-4-(4-hydroxyphenyl)but-3-enoate
CID 67610410
(4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate
CID 67428823
1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene
CID 174491340
2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
[4-[1-[3,5-bis[1-(4-hydroxyphenyl)-1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenyl] tert-butyl carbonate
CID 101465913
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene?
The IUPAC name of tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene (CID 158185481) is tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene.
What is the SMILES notation for tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene?
The canonical SMILES for tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene is C=Cc1ccc(O)cc1.C=Cc1ccc(OC(=O)OC(C)(C)C)cc1.CCOCCOC=Cc1ccccc1.
What is the InChIKey of tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene?
The InChIKey is FZBZIMKHHKLSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3.C12H16O2.C8H8O/c1-5-10-6-8-11(9-7-10)15-12(14)16-13(2,3)4;1-2-13-10-11-14-9-8-12-6-4-3-5-7-12;1-2-7-3-5-8(9)6-4-7/h5-9H,1H2,2-4H3;3-9H,2,10-11H2,1H3;2-6,9H,1H2.
What are the key properties of tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene?
tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene has a molecular weight of 532.68 g/mol, XLogP of 8.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene is sourced from PubChem (CID 158185481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).