methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate

C16H20O5 — CID 11323789

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(OC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H20O5/c1-11(14(17)19-5)13(12-9-7-6-8-10-12)20-15(18)21-16(2,3)4/h6-10,13H,1H2,2-5H3
InChIKeyDHPUQFWATOTGKT-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.41
Rot. Bonds4

About methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate

methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate (PubChem CID 11323789) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate
PubChem CID11323789
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(OC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H20O5/c1-11(14(17)19-5)13(12-9-7-6-8-10-12)20-15(18)21-16(2,3)4/h6-10,13H,1H2,2-5H3
InChIKeyDHPUQFWATOTGKT-UHFFFAOYSA-N
XLogP3.41
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(S)-acetyloxy(phenyl)methyl]prop-2-enoate
CID 51550449
methyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate
CID 15642603
tert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate
CID 122223212
ethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate
CID 101472446
methyl 2-benzhydrylprop-2-enoate
CID 67016942
tert-butyl 2-[(2-fluorophenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate
CID 135077028
tert-butyl [(1R,5R)-3-methylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]-1,5-diphenylpentyl] carbonate
CID 10695604
methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate
CID 11770323
tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate
CID 25140708
tert-butyl [1-(2-methoxyphenyl)-2-methylidene-3-oxobutyl] carbonate
CID 53382208
methyl (3S)-4,4,4-trichloro-2-methylidene-3-phenylbutanoate
CID 132597424
methyl 2-[bromo(phenyl)methyl]prop-2-enoate
CID 15812396

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate (CID 11323789) is methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate is C=C(C(=O)OC)C(OC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate?
The InChIKey is DHPUQFWATOTGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5/c1-11(14(17)19-5)13(12-9-7-6-8-10-12)20-15(18)21-16(2,3)4/h6-10,13H,1H2,2-5H3.
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate?
methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate has a molecular weight of 292.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate is sourced from PubChem (CID 11323789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).