ethyl dihydrogen phosphate;methyl prop-2-enoate

C6H13O6P — CID 158276127

IUPACethyl dihydrogen phosphate;methyl prop-2-enoate
SMILESC=CC(=O)OC.CCOP(=O)(O)O
InChIInChI=1S/C4H6O2.C2H7O4P/c1-3-4(5)6-2;1-2-6-7(3,4)5/h3H,1H2,2H3;2H2,1H3,(H2,3,4,5)
InChIKeyGJPXVRWJEBGBAM-UHFFFAOYSA-N
MW212.14 g/mol
LogP0.46
Rot. Bonds3

About ethyl dihydrogen phosphate;methyl prop-2-enoate

ethyl dihydrogen phosphate;methyl prop-2-enoate (PubChem CID 158276127) has the molecular formula C6H13O6P and a molecular weight of 212.14 g/mol. Its IUPAC name is ethyl dihydrogen phosphate;methyl prop-2-enoate.

Molecular Properties

Compound Nameethyl dihydrogen phosphate;methyl prop-2-enoate
PubChem CID158276127
Molecular FormulaC6H13O6P
Molecular Weight212.14 g/mol
Exact Mass212.04
IUPAC Nameethyl dihydrogen phosphate;methyl prop-2-enoate
SMILESC=CC(=O)OC.CCOP(=O)(O)O
InChIInChI=1S/C4H6O2.C2H7O4P/c1-3-4(5)6-2;1-2-6-7(3,4)5/h3H,1H2,2H3;2H2,1H3,(H2,3,4,5)
InChIKeyGJPXVRWJEBGBAM-UHFFFAOYSA-N
XLogP0.46
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 50.46
H-Bond Donors ≤ 52
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

methyl prop-2-enoate;propyl dihydrogen phosphate
CID 174452884
ethoxy dihydrogen phosphate;methyl prop-2-enoate
CID 174680488
methyl prop-2-enoate;phosphoric acid
CID 174689976
bis(methyl prop-2-enoate);propane
CID 160610529
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
alumane;ethyl dihydrogen phosphate
CID 173113989
CID 87495286
CID 87495286
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
N-methylmethanamine;methyl prop-2-enoate
CID 160519545

Frequently Asked Questions

What is the IUPAC name of ethyl dihydrogen phosphate;methyl prop-2-enoate?
The IUPAC name of ethyl dihydrogen phosphate;methyl prop-2-enoate (CID 158276127) is ethyl dihydrogen phosphate;methyl prop-2-enoate.
What is the SMILES notation for ethyl dihydrogen phosphate;methyl prop-2-enoate?
The canonical SMILES for ethyl dihydrogen phosphate;methyl prop-2-enoate is C=CC(=O)OC.CCOP(=O)(O)O.
What is the InChIKey of ethyl dihydrogen phosphate;methyl prop-2-enoate?
The InChIKey is GJPXVRWJEBGBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H7O4P/c1-3-4(5)6-2;1-2-6-7(3,4)5/h3H,1H2,2H3;2H2,1H3,(H2,3,4,5).
What are the key properties of ethyl dihydrogen phosphate;methyl prop-2-enoate?
ethyl dihydrogen phosphate;methyl prop-2-enoate has a molecular weight of 212.14 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl dihydrogen phosphate;methyl prop-2-enoate is sourced from PubChem (CID 158276127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).