[methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate

C8H15O4P — CID 174794227

IUPAC[methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate
SMILESC=CC(=O)OP(C)(=O)OC(C)(C)C
InChIInChI=1S/C8H15O4P/c1-6-7(9)11-13(5,10)12-8(2,3)4/h6H,1H2,2-5H3
InChIKeyKWFWOWCKYDEGJO-UHFFFAOYSA-N
MW206.18 g/mol
LogP2.35
Rot. Bonds3

About [methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate

[methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate (PubChem CID 174794227) has the molecular formula C8H15O4P and a molecular weight of 206.18 g/mol. Its IUPAC name is [methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate.

Molecular Properties

Compound Name[methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate
PubChem CID174794227
Molecular FormulaC8H15O4P
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC Name[methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate
SMILESC=CC(=O)OP(C)(=O)OC(C)(C)C
InChIInChI=1S/C8H15O4P/c1-6-7(9)11-13(5,10)12-8(2,3)4/h6H,1H2,2-5H3
InChIKeyKWFWOWCKYDEGJO-UHFFFAOYSA-N
XLogP2.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy-(4-methyl-3,5-dioxohepta-1,6-dien-4-yl)oxyphosphoryl] prop-2-enoate
CID 89183902
tert-butyl prop-2-enoate
CID 158231977
2-hydroxypropan-2-yl prop-2-enoate
CID 22726323
tert-butyl prop-2-enoate;methanol
CID 174833528
potassium;tert-butyl prop-2-enoate;hydride
CID 174867410
tert-butyl prop-2-enoate;2-methylpropan-2-ol
CID 157277842
ethyl(prop-2-enoyloxy)phosphinic acid
CID 174324939
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
[propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate
CID 175013848
tert-butyl prop-2-enoate;cyclononadecane
CID 174964635
tert-butyl prop-2-enoate;cyclopentatetracontane
CID 174869509
tert-butyl prop-2-enoate;cycloicosane
CID 174934602

Frequently Asked Questions

What is the IUPAC name of [methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate?
The IUPAC name of [methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate (CID 174794227) is [methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate.
What is the SMILES notation for [methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate?
The canonical SMILES for [methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate is C=CC(=O)OP(C)(=O)OC(C)(C)C.
What is the InChIKey of [methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate?
The InChIKey is KWFWOWCKYDEGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O4P/c1-6-7(9)11-13(5,10)12-8(2,3)4/h6H,1H2,2-5H3.
What are the key properties of [methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate?
[methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate has a molecular weight of 206.18 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate is sourced from PubChem (CID 174794227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).