3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate

C8H15O5P — CID 118588496

IUPAC3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate
SMILESC=CC(=O)OCCCOP(C)(=O)OC
InChIInChI=1S/C8H15O5P/c1-4-8(9)12-6-5-7-13-14(3,10)11-2/h4H,1,5-7H2,2-3H3
InChIKeyNRYFAZHEAQSJJC-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.59
Rot. Bonds7

About 3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate

3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate (PubChem CID 118588496) has the molecular formula C8H15O5P and a molecular weight of 222.18 g/mol. Its IUPAC name is 3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate.

Molecular Properties

Compound Name3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate
PubChem CID118588496
Molecular FormulaC8H15O5P
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Name3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate
SMILESC=CC(=O)OCCCOP(C)(=O)OC
InChIInChI=1S/C8H15O5P/c1-4-8(9)12-6-5-7-13-14(3,10)11-2/h4H,1,5-7H2,2-3H3
InChIKeyNRYFAZHEAQSJJC-UHFFFAOYSA-N
XLogP1.59
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

10-[hydroxy(methoxy)phosphoryl]oxydecyl prop-2-enoate
CID 140975270
4-methoxybutyl prop-2-enoate
CID 22321356
methoxy(3-prop-2-enoyloxypropyl)phosphinic acid
CID 154634835
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate
CID 138489892
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
3-carbamoyloxypropyl prop-2-enoate
CID 58831010
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate
CID 174981814
2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate
CID 175376147
3-(trimethyl-λ4-sulfanyl)propyl prop-2-enoate
CID 150380231

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate?
The IUPAC name of 3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate (CID 118588496) is 3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate.
What is the SMILES notation for 3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate?
The canonical SMILES for 3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate is C=CC(=O)OCCCOP(C)(=O)OC.
What is the InChIKey of 3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate?
The InChIKey is NRYFAZHEAQSJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O5P/c1-4-8(9)12-6-5-7-13-14(3,10)11-2/h4H,1,5-7H2,2-3H3.
What are the key properties of 3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate?
3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate has a molecular weight of 222.18 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate is sourced from PubChem (CID 118588496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).