methyl prop-2-enoate;propyl dihydrogen phosphate

C7H15O6P — CID 174452884

IUPACmethyl prop-2-enoate;propyl dihydrogen phosphate
SMILESC=CC(=O)OC.CCCOP(=O)(O)O
InChIInChI=1S/C4H6O2.C3H9O4P/c1-3-4(5)6-2;1-2-3-7-8(4,5)6/h3H,1H2,2H3;2-3H2,1H3,(H2,4,5,6)
InChIKeyMKMNRHJRCAEVRD-UHFFFAOYSA-N
MW226.16 g/mol
LogP0.85
Rot. Bonds4

About methyl prop-2-enoate;propyl dihydrogen phosphate

methyl prop-2-enoate;propyl dihydrogen phosphate (PubChem CID 174452884) has the molecular formula C7H15O6P and a molecular weight of 226.16 g/mol. Its IUPAC name is methyl prop-2-enoate;propyl dihydrogen phosphate.

Molecular Properties

Compound Namemethyl prop-2-enoate;propyl dihydrogen phosphate
PubChem CID174452884
Molecular FormulaC7H15O6P
Molecular Weight226.16 g/mol
Exact Mass226.06
IUPAC Namemethyl prop-2-enoate;propyl dihydrogen phosphate
SMILESC=CC(=O)OC.CCCOP(=O)(O)O
InChIInChI=1S/C4H6O2.C3H9O4P/c1-3-4(5)6-2;1-2-3-7-8(4,5)6/h3H,1H2,2H3;2-3H2,1H3,(H2,4,5,6)
InChIKeyMKMNRHJRCAEVRD-UHFFFAOYSA-N
XLogP0.85
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 50.85
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

ethyl dihydrogen phosphate;methyl prop-2-enoate
CID 158276127
methyl prop-2-enoate;phosphoric acid
CID 174689976
bis(methyl prop-2-enoate);propane
CID 160610529
ethoxy dihydrogen phosphate;methyl prop-2-enoate
CID 174680488
bis(amino prop-2-enoate);hexyl dihydrogen phosphate
CID 172853475
propyl dihydrogen phosphate;urea
CID 88818408
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
diiodolead;methyl prop-2-enoate
CID 175762695
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800
ethyl(dimethyl)stannane;methyl prop-2-enoate
CID 174264284
dimethoxymethane;methyl prop-2-enoate
CID 162245850

Frequently Asked Questions

What is the IUPAC name of methyl prop-2-enoate;propyl dihydrogen phosphate?
The IUPAC name of methyl prop-2-enoate;propyl dihydrogen phosphate (CID 174452884) is methyl prop-2-enoate;propyl dihydrogen phosphate.
What is the SMILES notation for methyl prop-2-enoate;propyl dihydrogen phosphate?
The canonical SMILES for methyl prop-2-enoate;propyl dihydrogen phosphate is C=CC(=O)OC.CCCOP(=O)(O)O.
What is the InChIKey of methyl prop-2-enoate;propyl dihydrogen phosphate?
The InChIKey is MKMNRHJRCAEVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H9O4P/c1-3-4(5)6-2;1-2-3-7-8(4,5)6/h3H,1H2,2H3;2-3H2,1H3,(H2,4,5,6).
What are the key properties of methyl prop-2-enoate;propyl dihydrogen phosphate?
methyl prop-2-enoate;propyl dihydrogen phosphate has a molecular weight of 226.16 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl prop-2-enoate;propyl dihydrogen phosphate is sourced from PubChem (CID 174452884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).