dimethyl hydrogen phosphate;ethyl prop-2-enoate

C7H15O6P — CID 87182550

IUPACdimethyl hydrogen phosphate;ethyl prop-2-enoate
SMILESC=CC(=O)OCC.COP(=O)(O)OC
InChIInChI=1S/C5H8O2.C2H7O4P/c1-3-5(6)7-4-2;1-5-7(3,4)6-2/h3H,1,4H2,2H3;1-2H3,(H,3,4)
InChIKeyZKHFUIIZFCSYQB-UHFFFAOYSA-N
MW226.16 g/mol
LogP1.12
Rot. Bonds4

About dimethyl hydrogen phosphate;ethyl prop-2-enoate

dimethyl hydrogen phosphate;ethyl prop-2-enoate (PubChem CID 87182550) has the molecular formula C7H15O6P and a molecular weight of 226.16 g/mol. Its IUPAC name is dimethyl hydrogen phosphate;ethyl prop-2-enoate.

Molecular Properties

Compound Namedimethyl hydrogen phosphate;ethyl prop-2-enoate
PubChem CID87182550
Molecular FormulaC7H15O6P
Molecular Weight226.16 g/mol
Exact Mass226.06
IUPAC Namedimethyl hydrogen phosphate;ethyl prop-2-enoate
SMILESC=CC(=O)OCC.COP(=O)(O)OC
InChIInChI=1S/C5H8O2.C2H7O4P/c1-3-5(6)7-4-2;1-5-7(3,4)6-2/h3H,1,4H2,2H3;1-2H3,(H,3,4)
InChIKeyZKHFUIIZFCSYQB-UHFFFAOYSA-N
XLogP1.12
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethene;ethyl prop-2-enoate;urea
CID 22098038
chloroethene;ethene;ethyl prop-2-enoate
CID 86733401
10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate
CID 140975270
ethyl prop-2-enoate;methanesulfonic acid
CID 159762482
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944
ethyl prop-2-enoate;ethyl(trimethyl)azanium
CID 175893941
2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate
CID 175376147
ethyl prop-2-enoate;methylimino(oxo)methane
CID 160786021

Frequently Asked Questions

What is the IUPAC name of dimethyl hydrogen phosphate;ethyl prop-2-enoate?
The IUPAC name of dimethyl hydrogen phosphate;ethyl prop-2-enoate (CID 87182550) is dimethyl hydrogen phosphate;ethyl prop-2-enoate.
What is the SMILES notation for dimethyl hydrogen phosphate;ethyl prop-2-enoate?
The canonical SMILES for dimethyl hydrogen phosphate;ethyl prop-2-enoate is C=CC(=O)OCC.COP(=O)(O)OC.
What is the InChIKey of dimethyl hydrogen phosphate;ethyl prop-2-enoate?
The InChIKey is ZKHFUIIZFCSYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C2H7O4P/c1-3-5(6)7-4-2;1-5-7(3,4)6-2/h3H,1,4H2,2H3;1-2H3,(H,3,4).
What are the key properties of dimethyl hydrogen phosphate;ethyl prop-2-enoate?
dimethyl hydrogen phosphate;ethyl prop-2-enoate has a molecular weight of 226.16 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl hydrogen phosphate;ethyl prop-2-enoate is sourced from PubChem (CID 87182550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).